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4-Methyloxazole
CAS: 693-93-6 | C4H5NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
693-93-6
Molecular Formula:
C4H5NO
Molecular Weight:
83.09 g/mol
Names and Synonyms:
4-Methyloxazole
Common Name
4-Methyloxazole
Synonym
Oxazole, 4-methyl-
Synonym
Identifiers:
SMILES:
Cc1cocn1
InChI:
InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 83.09 g/mol | Legacy Database |
| cas-boiling-point | 88 °C None | Legacy Database |
| cas-canonical-smile | N1=COC=C1C None | Legacy Database |
| cas-inchi | InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PUMREIFKTMLCAF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Methyloxazole None | Legacy Database |
| LogP | 0.98302 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 83.09 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 83.03711378 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.239999999999995 | RDKit |