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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.

External Resources

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

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