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

C17H13NO4 — CID 98512239

IUPAC(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1ccccc1C(=O)[C@@H]1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H13NO4/c1-21-13-10-6-5-9-12(13)15(19)14-17(20)22-16(18-14)11-7-3-2-4-8-11/h2-10,14H,1H3/t14-/m0/s1
InChIKeyKWIVEAYJXCXFMG-AWEZNQCLSA-N
MW295.29 g/mol
LogP2.25
Rot. Bonds4

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

(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 98512239) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID98512239
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1ccccc1C(=O)[C@@H]1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H13NO4/c1-21-13-10-6-5-9-12(13)15(19)14-17(20)22-16(18-14)11-7-3-2-4-8-11/h2-10,14H,1H3/t14-/m0/s1
InChIKeyKWIVEAYJXCXFMG-AWEZNQCLSA-N
XLogP2.25
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-2-phenyl-4H-1,3-oxazol-5-one
CID 13223325
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
4-(cyclohexanecarbonyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 90917262
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
3-(2-methoxybenzoyl)oxan-4-one
CID 169498745
2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
CID 54172457
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one (CID 98512239) is (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one is COc1ccccc1C(=O)[C@@H]1N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is KWIVEAYJXCXFMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-13-10-6-5-9-12(13)15(19)14-17(20)22-16(18-14)11-7-3-2-4-8-11/h2-10,14H,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one?
(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 295.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 98512239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).