4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one

C16H12FNO2 — CID 132969724

IUPAC4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=NC1Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-13-8-6-12(7-9-13)15-18-14(16(19)20-15)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyKZWKLCCKNWNGOO-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.74
Rot. Bonds3

About 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one

4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one (PubChem CID 132969724) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one
PubChem CID132969724
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=NC1Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-13-8-6-12(7-9-13)15-18-14(16(19)20-15)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyKZWKLCCKNWNGOO-UHFFFAOYSA-N
XLogP2.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
(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
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one (CID 132969724) is 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one is O=C1OC(c2ccc(F)cc2)=NC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
The InChIKey is KZWKLCCKNWNGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-8-6-12(7-9-13)15-18-14(16(19)20-15)10-11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one?
4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one has a molecular weight of 269.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 132969724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).