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

C19H16FNO2 — CID 102582088

IUPAC(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC=C[C@H](c1ccc(F)cc1)[C@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H16FNO2/c1-3-16(13-9-11-15(20)12-10-13)19(2)18(22)23-17(21-19)14-7-5-4-6-8-14/h3-12,16H,1H2,2H3/t16-,19+/m1/s1
InChIKeyKNPXQESKRVQQJC-APWZRJJASA-N
MW309.34 g/mol
LogP3.86
Rot. Bonds4

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

(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 102582088) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID102582088
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC=C[C@H](c1ccc(F)cc1)[C@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H16FNO2/c1-3-16(13-9-11-15(20)12-10-13)19(2)18(22)23-17(21-19)14-7-5-4-6-8-14/h3-12,16H,1H2,2H3/t16-,19+/m1/s1
InChIKeyKNPXQESKRVQQJC-APWZRJJASA-N
XLogP3.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one
CID 134955603
(4S)-4-methyl-4-[(R)-(2-methyl-1H-indol-3-yl)-(4-methylphenyl)methyl]-2-phenyl-1,3-oxazol-5-one
CID 71604937
(5R)-5-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714991
4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101412232
(4R)-4-benzyl-4-[(1R)-1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]-2-phenyl-1,3-oxazol-5-one
CID 134997577
(4R)-4-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
CID 56600507
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
O-[(4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl] ethanethioate
CID 45123250
2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
CID 102179165
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925
(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one
CID 11594055

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 102582088) is (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one is C=C[C@H](c1ccc(F)cc1)[C@]1(C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is KNPXQESKRVQQJC-APWZRJJASA-N. The full InChI is InChI=1S/C19H16FNO2/c1-3-16(13-9-11-15(20)12-10-13)19(2)18(22)23-17(21-19)14-7-5-4-6-8-14/h3-12,16H,1H2,2H3/t16-,19+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 309.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 102582088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).