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

C17H15NO4 — CID 102288044

IUPAC2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=NC(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C17H15NO4/c1-20-13-8-12(9-14(10-13)21-2)16-18-15(17(19)22-16)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyXKFKMNDBMZLTBW-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.75
Rot. Bonds4

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

2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one (PubChem CID 102288044) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
PubChem CID102288044
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=NC(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C17H15NO4/c1-20-13-8-12(9-14(10-13)21-2)16-18-15(17(19)22-16)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyXKFKMNDBMZLTBW-UHFFFAOYSA-N
XLogP2.75
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-2-(3,5-dimethoxyphenyl)-4H-1,3-oxazol-5-one
CID 42624931
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
1,3-dimethoxy-5-phenylbenzene
CID 11469945
(2S,3S)-2-(3,5-dimethoxyphenyl)-3-phenyloxirane
CID 131844967
(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 102576070
4-[(Z)-[2-(3,5-dimethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 7963842
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 98512239
2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5093002
2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
CID 74947618

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one (CID 102288044) is 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one is COc1cc(OC)cc(C2=NC(c3ccccc3)C(=O)O2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is XKFKMNDBMZLTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-13-8-12(9-14(10-13)21-2)16-18-15(17(19)22-16)11-6-4-3-5-7-11/h3-10,15H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one?
2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 297.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 102288044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).