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

C11H8BrNO2 — CID 105423846

IUPAC1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1oncc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c1-7(14)11-10(6-13-15-11)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyXANMNONIQFVLAM-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.31
Rot. Bonds2

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

1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone (PubChem CID 105423846) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone
PubChem CID105423846
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1oncc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c1-7(14)11-10(6-13-15-11)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyXANMNONIQFVLAM-UHFFFAOYSA-N
XLogP3.31
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423960
1-[6-(3-bromophenyl)-1,2,4-triazin-3-yl]ethanone
CID 82378720
(E)-3-[4-(3-bromophenyl)-3-pyridinyl]-2-methylprop-2-enoic acid
CID 170873379
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
bis[2-(3-bromophenyl)phenyl]methanone
CID 54092576
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596785
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015
(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
CID 165346016
[3,5-bis(3-bromophenyl)furan-2-yl]-(3-bromophenyl)methanone
CID 15437557
N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide
CID 90645918
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone (CID 105423846) is 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone is CC(=O)c1oncc1-c1cccc(Br)c1.
What is the InChIKey of 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone?
The InChIKey is XANMNONIQFVLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-7(14)11-10(6-13-15-11)8-3-2-4-9(12)5-8/h2-6H,1H3.
What are the key properties of 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone?
1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone has a molecular weight of 266.09 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenyl)-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 105423846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).