(4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one

C23H23NO3 — CID 56600507

IUPAC(4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
SMILESC=CC[C@@H](c1ccc(OC)cc1)[C@@]1(CC=C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C23H23NO3/c1-4-9-20(17-12-14-19(26-3)15-13-17)23(16-5-2)22(25)27-21(24-23)18-10-7-6-8-11-18/h4-8,10-15,20H,1-2,9,16H2,3H3/t20-,23+/m0/s1
InChIKeyINDDWGBJELXRGY-NZQKXSOJSA-N
MW361.44 g/mol
LogP4.67
Rot. Bonds8

About (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one

(4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one (PubChem CID 56600507) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
PubChem CID56600507
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
SMILESC=CC[C@@H](c1ccc(OC)cc1)[C@@]1(CC=C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C23H23NO3/c1-4-9-20(17-12-14-19(26-3)15-13-17)23(16-5-2)22(25)27-21(24-23)18-10-7-6-8-11-18/h4-8,10-15,20H,1-2,9,16H2,3H3/t20-,23+/m0/s1
InChIKeyINDDWGBJELXRGY-NZQKXSOJSA-N
XLogP4.67
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
CID 56602008
methyl (3R)-3-[(4S)-4-benzyl-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylpropanoate
CID 122221428
(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 832362
(4R)-4-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 135015518
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
(4R)-4-benzyl-4-[(1R)-3-oxo-3-phenyl-1-(4-phenylphenyl)propyl]-2-phenyl-1,3-oxazol-5-one
CID 135006221
prop-2-enyl (4S)-2-(4-methoxyphenyl)-4-(2-methylpropyl)-5-oxo-1,3-oxazole-4-carboxylate
CID 53474427
phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 101263641
3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
CID 24769802
benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one (CID 56600507) is (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one is C=CC[C@@H](c1ccc(OC)cc1)[C@@]1(CC=C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
The InChIKey is INDDWGBJELXRGY-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H23NO3/c1-4-9-20(17-12-14-19(26-3)15-13-17)23(16-5-2)22(25)27-21(24-23)18-10-7-6-8-11-18/h4-8,10-15,20H,1-2,9,16H2,3H3/t20-,23+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one?
(4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one has a molecular weight of 361.44 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one is sourced from PubChem (CID 56600507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).