5-methyl-2-phenyl-1,3-oxazol-4-one

C10H9NO2 — CID 11788573

IUPAC5-methyl-2-phenyl-1,3-oxazol-4-one
SMILESCC1OC(c2ccccc2)=NC1=O
InChIInChI=1S/C10H9NO2/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyRAVFWWMARYVLFO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.38
Rot. Bonds1

About 5-methyl-2-phenyl-1,3-oxazol-4-one

5-methyl-2-phenyl-1,3-oxazol-4-one (PubChem CID 11788573) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-1,3-oxazol-4-one
PubChem CID11788573
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-methyl-2-phenyl-1,3-oxazol-4-one
SMILESCC1OC(c2ccccc2)=NC1=O
InChIInChI=1S/C10H9NO2/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyRAVFWWMARYVLFO-UHFFFAOYSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-2-oxazoline
CID 244030
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
Mls002667700
CID 244135
2-(Benzyloxy)propanamide
CID 344960
2-(Benzyloxy)acetamide
CID 14984919
Oxazole, 4,5-dihydro-5-(iodomethyl)-2-phenyl-
CID 11845181
2-(m-Trifluoromethyl-phenyl)-2-oxazolin-4-one
CID 129653159
4(5H)-Oxazolone, 5,5-dimethyl-2-phenyl-
CID 709402
(5Z)-2-phenyl-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-4(5H)-one
CID 919313
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632
2-Phenyloxazol-4(5H)-one
CID 6917403

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1,3-oxazol-4-one?
The IUPAC name of 5-methyl-2-phenyl-1,3-oxazol-4-one (CID 11788573) is 5-methyl-2-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-1,3-oxazol-4-one?
The canonical SMILES for 5-methyl-2-phenyl-1,3-oxazol-4-one is CC1OC(c2ccccc2)=NC1=O.
What is the InChIKey of 5-methyl-2-phenyl-1,3-oxazol-4-one?
The InChIKey is RAVFWWMARYVLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-methyl-2-phenyl-1,3-oxazol-4-one?
5-methyl-2-phenyl-1,3-oxazol-4-one has a molecular weight of 175.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 11788573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).