2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone

C11H10BrNO2 — CID 131465086

IUPAC2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone
SMILESCCc1nc2cccc(C(=O)CBr)c2o1
InChIInChI=1S/C11H10BrNO2/c1-2-10-13-8-5-3-4-7(9(14)6-12)11(8)15-10/h3-5H,2,6H2,1H3
InChIKeyRCFZBIMQIYTVIQ-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.97
Rot. Bonds3

About 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone

2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone (PubChem CID 131465086) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone
PubChem CID131465086
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone
SMILESCCc1nc2cccc(C(=O)CBr)c2o1
InChIInChI=1S/C11H10BrNO2/c1-2-10-13-8-5-3-4-7(9(14)6-12)11(8)15-10/h3-5H,2,6H2,1H3
InChIKeyRCFZBIMQIYTVIQ-UHFFFAOYSA-N
XLogP2.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[2-(hydroxymethyl)-1,3-benzoxazol-7-yl]ethanone
CID 131319792
2-bromo-1-(2-fluoro-1,3-benzoxazol-7-yl)ethanone
CID 130938708
2-bromo-1-(2-ethyl-1,3-benzoxazol-4-yl)ethanone
CID 131465085
7-chloro-2-ethyl-1,3-benzoxazole;ethane
CID 145422822
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-bromo-1-(2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 131465087
2-ethyl-7-methylsulfanyl-1,3-benzoxazole
CID 130894129
2-(2-ethoxyethyl)-1,3-benzoxazole-7-carboxylic acid
CID 81346504
1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
CID 82233371
2-bromo-1-(2-bromo-3-ethylphenyl)ethanone
CID 130066516
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone?
The IUPAC name of 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone (CID 131465086) is 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone is CCc1nc2cccc(C(=O)CBr)c2o1.
What is the InChIKey of 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone?
The InChIKey is RCFZBIMQIYTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-2-10-13-8-5-3-4-7(9(14)6-12)11(8)15-10/h3-5H,2,6H2,1H3.
What are the key properties of 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone?
2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone has a molecular weight of 268.11 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone is sourced from PubChem (CID 131465086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).