1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone

C12H10BrNO2 — CID 29016179

IUPAC1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2ccccc2Br)oc1C
InChIInChI=1S/C12H10BrNO2/c1-7(15)11-8(2)16-12(14-11)9-5-3-4-6-10(9)13/h3-6H,1-2H3
InChIKeyGOSKZRILYXXRQB-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.62
Rot. Bonds2

About 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone

1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (PubChem CID 29016179) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
PubChem CID29016179
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2ccccc2Br)oc1C
InChIInChI=1S/C12H10BrNO2/c1-7(15)11-8(2)16-12(14-11)9-5-3-4-6-10(9)13/h3-6H,1-2H3
InChIKeyGOSKZRILYXXRQB-UHFFFAOYSA-N
XLogP3.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (CID 29016179) is 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone is CC(=O)c1nc(-c2ccccc2Br)oc1C.
What is the InChIKey of 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The InChIKey is GOSKZRILYXXRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-7(15)11-8(2)16-12(14-11)9-5-3-4-6-10(9)13/h3-6H,1-2H3.
What are the key properties of 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone has a molecular weight of 280.12 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 29016179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).