(4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one

C26H23NO3 — CID 102198562

IUPAC(4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one
SMILESCC(=O)C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C26H23NO3/c1-19(28)17-23(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)25(29)30-24(27-26)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3/t23-,26-/m1/s1
InChIKeyVYRZJFLPLWFJFD-ZEQKJWHPSA-N
MW397.47 g/mol
LogP4.73
Rot. Bonds7

About (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one

(4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 102198562) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one
PubChem CID102198562
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name(4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one
SMILESCC(=O)C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C26H23NO3/c1-19(28)17-23(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)25(29)30-24(27-26)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3/t23-,26-/m1/s1
InChIKeyVYRZJFLPLWFJFD-ZEQKJWHPSA-N
XLogP4.73
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one (CID 102198562) is (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one is CC(=O)C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is VYRZJFLPLWFJFD-ZEQKJWHPSA-N. The full InChI is InChI=1S/C26H23NO3/c1-19(28)17-23(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)25(29)30-24(27-26)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3/t23-,26-/m1/s1.
What are the key properties of (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one?
(4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 397.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-4-[(1R)-3-oxo-1-phenylbutyl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 102198562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).