4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one

C16H13NO3 — CID 45123203

IUPAC4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1ccccc1C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C16H13NO3/c1-19-13-10-6-5-9-12(13)14-16(18)20-15(17-14)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyNWPJRDKTEPXCTP-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.74
Rot. Bonds3

About 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one

4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 45123203) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID45123203
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1ccccc1C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C16H13NO3/c1-19-13-10-6-5-9-12(13)14-16(18)20-15(17-14)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyNWPJRDKTEPXCTP-UHFFFAOYSA-N
XLogP2.74
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 98512239
2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
CID 102288044
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592
3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione
CID 102002061
4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 2756650
8-methoxy-4-methyl-4H-isochromene-1,3-dione
CID 11790367
2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
CID 7068225
trans-(1S,3S)-3-(2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768049
2-(2-methoxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899567
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
3-(2,3-dimethoxyphenyl)-4-phenyloxolane-2,5-dione
CID 5225835
5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115059922

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one (CID 45123203) is 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one is COc1ccccc1C1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is NWPJRDKTEPXCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-13-10-6-5-9-12(13)14-16(18)20-15(17-14)11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one?
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 267.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 45123203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).