3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one

C16H12BrNO2 — CID 164685094

IUPAC3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(Br)n1Cc1ccccc1
InChIInChI=1S/C16H12BrNO2/c17-15-14(13-9-5-2-6-10-13)20-16(19)18(15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyIIVAPHILANFFOA-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.92
Rot. Bonds3

About 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one

3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one (PubChem CID 164685094) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
PubChem CID164685094
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(Br)n1Cc1ccccc1
InChIInChI=1S/C16H12BrNO2/c17-15-14(13-9-5-2-6-10-13)20-16(19)18(15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyIIVAPHILANFFOA-UHFFFAOYSA-N
XLogP3.92
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 71513508
3-benzyl-4-(3-methylbutan-2-yl)-5-phenyl-1,3-oxazol-2-one
CID 71122906
4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 164684853
3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
CID 91929886
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid
CID 10447200
3,4-dibenzyl-5-methoxy-1,3-oxazol-2-one
CID 22728471
1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione
CID 11821306
1-benzyl-2,3,5-tribromopyrrole
CID 12713073
1-benzyl-2,3,4-tribromopyrrole
CID 12713072
3-benzyl-5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,3-oxazol-2-one
CID 102591114
4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
CID 15041338

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one (CID 164685094) is 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)c(Br)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one?
The InChIKey is IIVAPHILANFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-15-14(13-9-5-2-6-10-13)20-16(19)18(15)11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one?
3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one has a molecular weight of 330.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 164685094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).