(4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one

C27H23NO3 — CID 71613949

IUPAC(4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1([C@H](CC(=O)/C=C/c2ccccc2)c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C27H23NO3/c1-27(26(30)31-25(28-27)22-15-9-4-10-16-22)24(21-13-7-3-8-14-21)19-23(29)18-17-20-11-5-2-6-12-20/h2-18,24H,19H2,1H3/b18-17+/t24-,27-/m1/s1
InChIKeyBMPFDLILMPIUOA-NHDLAMRASA-N
MW409.49 g/mol
LogP5.21
Rot. Bonds7

About (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one

(4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 71613949) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
PubChem CID71613949
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name(4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1([C@H](CC(=O)/C=C/c2ccccc2)c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C27H23NO3/c1-27(26(30)31-25(28-27)22-15-9-4-10-16-22)24(21-13-7-3-8-14-21)19-23(29)18-17-20-11-5-2-6-12-20/h2-18,24H,19H2,1H3/b18-17+/t24-,27-/m1/s1
InChIKeyBMPFDLILMPIUOA-NHDLAMRASA-N
XLogP5.21
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
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
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
(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
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
CID 134997577
(4R)-4-benzyl-4-[(1R)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
CID 135006237
(R)-4-(4-fluorophenyl)-4-isopropyl-2-phenyloxazol-5(4H)-one
CID 171341338
5(4H)-Oxazolone, 4-methyl-2,4-diphenyl-
CID 10999497

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one (CID 71613949) is (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one is C[C@]1([C@H](CC(=O)/C=C/c2ccccc2)c2ccccc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BMPFDLILMPIUOA-NHDLAMRASA-N. The full InChI is InChI=1S/C27H23NO3/c1-27(26(30)31-25(28-27)22-15-9-4-10-16-22)24(21-13-7-3-8-14-21)19-23(29)18-17-20-11-5-2-6-12-20/h2-18,24H,19H2,1H3/b18-17+/t24-,27-/m1/s1.
What are the key properties of (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one?
(4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 409.49 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[(E,1R)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 71613949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).