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Oxazepam
CAS: 604-75-1 | C15H11ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
604-75-1
Molecular Formula:
C15H11ClN2O2
Molecular Weight:
286.718 g/mol
Names and Synonyms:
Oxazepam
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-
7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one
Wy 3498
Ro 5-6789
Adumbran
7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Oxazepam
Serax
Seresta
Aplakil
Bonare
Enidrel
Limbial
Nesontil
Praxiten
Propax
Rondar
Serenal
Serepax
Tazepam
Psiquiwas
Hi-Long
Astress
Sobril
Drimuel
Droxacepam
Anxiolit retard
Tarchomin
Nozepam
N-Desmethyltemazepam
Anxiolit
Nortemazepam
(±)-Oxazepam
(RS)-Oxazepam
Noctazepam
Serenid
Lederpam
Quilibrex
Isodin
Azutranquil
Zaxopam
Uskan
Oxanid
Sigacalm
Oxa-puren
Durazepam
NSC 169448
3-Hydroxynordiazepam
Serenid-D
7-Chloro-3-hydroxy-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one
Identifiers:
SMILES:
OC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
InChI:
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 286.718 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 286.050905272 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 65.18 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.0974000000000017 | RDKit |
| molecular_mass | 286.72 g/mol | Legacy Database |
| cas-canonical-smile | O=C1NC=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3 None | Legacy Database |
| cas-inchi | InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19) None | Legacy Database |
| cas-inchi-key | InChIKey=ADIMAYPTOBDMTL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 205-206 °C None | Legacy Database |
| cas-name | Oxazepam None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 79.26360000000003 | RDKit |
