(4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

C18H16FNO2 — CID 171341338

IUPAC(4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
SMILESCC(C)[C@]1(c2ccc(F)cc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C18H16FNO2/c1-12(2)18(14-8-10-15(19)11-9-14)17(21)22-16(20-18)13-6-4-3-5-7-13/h3-12H,1-2H3/t18-/m1/s1
InChIKeyBYZMPSQUKXMGPM-GOSISDBHSA-N
MW297.33 g/mol
LogP3.68
Rot. Bonds3

About (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

(4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one (PubChem CID 171341338) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
PubChem CID171341338
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name(4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
SMILESCC(C)[C@]1(c2ccc(F)cc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C18H16FNO2/c1-12(2)18(14-8-10-15(19)11-9-14)17(21)22-16(20-18)13-6-4-3-5-7-13/h3-12H,1-2H3/t18-/m1/s1
InChIKeyBYZMPSQUKXMGPM-GOSISDBHSA-N
XLogP3.68
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
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
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
tert-butyl (4R)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-oxazole-4-carboxylate
CID 11475955
(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 57407427
(4S)-4-methyl-2-phenyl-4-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-5-one
CID 101537590
tert-butyl (4R)-4-benzyl-2-(2-fluorophenyl)-5H-1,3-oxazole-4-carboxylate
CID 102573357

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one (CID 171341338) is (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one is CC(C)[C@]1(c2ccc(F)cc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The InChIKey is BYZMPSQUKXMGPM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12(2)18(14-8-10-15(19)11-9-14)17(21)22-16(20-18)13-6-4-3-5-7-13/h3-12H,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
(4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one has a molecular weight of 297.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 171341338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).