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

C17H14FNO2 — CID 57407427

IUPAC(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1(Cc2ccc(F)cc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H14FNO2/c1-17(11-12-7-9-14(18)10-8-12)16(20)21-15(19-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3/t17-/m1/s1
InChIKeyQYCRLVHCGWNDAM-QGZVFWFLSA-N
MW283.30 g/mol
LogP3.13
Rot. Bonds3

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

(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 57407427) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID57407427
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1(Cc2ccc(F)cc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H14FNO2/c1-17(11-12-7-9-14(18)10-8-12)16(20)21-15(19-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3/t17-/m1/s1
InChIKeyQYCRLVHCGWNDAM-QGZVFWFLSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
AC1Ntnke
CID 5384656
(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
(4Z)-2-(2-Fluorophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-EN-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 5994697
(4Z)-2-(4-Fluorophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-EN-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 6393867
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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 57407427) is (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one is C[C@]1(Cc2ccc(F)cc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is QYCRLVHCGWNDAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-17(11-12-7-9-14(18)10-8-12)16(20)21-15(19-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 283.30 g/mol, XLogP of 3.13, 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)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 57407427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).