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

C22H16FNO2 — CID 18970431

IUPAC3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H16FNO2/c23-19-13-11-16(12-14-19)15-24-20(17-7-3-1-4-8-17)21(26-22(24)25)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyPCXVEALATCROLY-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.96
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one (PubChem CID 18970431) has the molecular formula C22H16FNO2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one
PubChem CID18970431
Molecular FormulaC22H16FNO2
Molecular Weight345.37 g/mol
Exact Mass345.12
IUPAC Name3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H16FNO2/c23-19-13-11-16(12-14-19)15-24-20(17-7-3-1-4-8-17)21(26-22(24)25)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyPCXVEALATCROLY-UHFFFAOYSA-N
XLogP4.96
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one (CID 18970431) is 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one?
The InChIKey is PCXVEALATCROLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO2/c23-19-13-11-16(12-14-19)15-24-20(17-7-3-1-4-8-17)21(26-22(24)25)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one?
3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one has a molecular weight of 345.37 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one is sourced from PubChem (CID 18970431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).