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

C19H16BrNO2 — CID 11749005

IUPAC(5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1Br)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C19H16BrNO2/c1-3-15(14-11-7-8-12-16(14)20)19(2)18(22)21-17(23-19)13-9-5-4-6-10-13/h3-12,15H,1H2,2H3/t15-,19+/m0/s1
InChIKeyWXYNOYBOSUOZLQ-HNAYVOBHSA-N
MW370.25 g/mol
LogP4.48
Rot. Bonds4

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

(5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one (PubChem CID 11749005) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
PubChem CID11749005
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name(5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
SMILESC=C[C@@H](c1ccccc1Br)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C19H16BrNO2/c1-3-15(14-11-7-8-12-16(14)20)19(2)18(22)21-17(23-19)13-9-5-4-6-10-13/h3-12,15H,1H2,2H3/t15-,19+/m0/s1
InChIKeyWXYNOYBOSUOZLQ-HNAYVOBHSA-N
XLogP4.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-benzyl-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-1,3-oxazol-4-one
CID 139094373
(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 11164252
(5R)-5-[(1S)-1-(cyclohexen-1-yl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 12123228
(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 101340931
(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one
CID 138969922
(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-prop-2-enyl-1,3-oxazol-4-one
CID 138969923
(5R)-5-benzyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 138969924
(5R)-2-(4-bromophenyl)-5-methyl-5-[(E)-3-oxodec-1-enyl]-1,3-oxazol-4-one
CID 139116217
(5S)-5-[(1R)-1-(4-bromophenyl)-4-hydroxy-4-methyl-3-oxopentyl]-5-hexyl-2-phenyl-1,3-oxazol-4-one
CID 139123833
(5S)-5-[(1R)-1-(4-bromophenyl)-3-oxobutyl]-2-phenyl-5-propyl-1,3-oxazol-4-one
CID 139182246
(5R)-5-methyl-2-(3-methylphenyl)-5-[(1R)-1-phenylprop-2-ynyl]-1,3-oxazol-4-one
CID 154713605
(5R)-5-[(1R)-1-(4-bromophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714993

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one (CID 11749005) is (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one is C=C[C@@H](c1ccccc1Br)[C@@]1(C)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one?
The InChIKey is WXYNOYBOSUOZLQ-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-3-15(14-11-7-8-12-16(14)20)19(2)18(22)21-17(23-19)13-9-5-4-6-10-13/h3-12,15H,1H2,2H3/t15-,19+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one?
(5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one has a molecular weight of 370.25 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-(2-bromophenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 11749005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).