4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one

C17H14FNO2 — CID 155908098

IUPAC4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NC(Cc3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C17H14FNO2/c1-11-2-6-13(7-3-11)16-19-15(17(20)21-16)10-12-4-8-14(18)9-5-12/h2-9,15H,10H2,1H3
InChIKeyQQLPEMNRPHBJRO-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.05
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one

4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one (PubChem CID 155908098) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
PubChem CID155908098
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NC(Cc3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C17H14FNO2/c1-11-2-6-13(7-3-11)16-19-15(17(20)21-16)10-12-4-8-14(18)9-5-12/h2-9,15H,10H2,1H3
InChIKeyQQLPEMNRPHBJRO-UHFFFAOYSA-N
XLogP3.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Fluoro-benzylidene)-2-p-tolyl-4H-oxazol-5-one
CID 1733419
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
methyl 4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 740239
4-[(4-Fluorophenyl)methylene]-2-(4-methylphenyl)-1,3-oxazolin-5-one
CID 5411194
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
CID 5391468
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
benzyl (4S)-2-(p-tolyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201336
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one (CID 155908098) is 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one is Cc1ccc(C2=NC(Cc3ccc(F)cc3)C(=O)O2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The InChIKey is QQLPEMNRPHBJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-2-6-13(7-3-11)16-19-15(17(20)21-16)10-12-4-8-14(18)9-5-12/h2-9,15H,10H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one has a molecular weight of 283.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 155908098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).