1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone

C11H10BrNO2 — CID 82233371

IUPAC1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
SMILESCCc1nc2cc(Br)cc(C(C)=O)c2o1
InChIInChI=1S/C11H10BrNO2/c1-3-10-13-9-5-7(12)4-8(6(2)14)11(9)15-10/h4-5H,3H2,1-2H3
InChIKeyIQZJFJDILLAKFU-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.36
Rot. Bonds2

About 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone

1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone (PubChem CID 82233371) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
PubChem CID82233371
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
SMILESCCc1nc2cc(Br)cc(C(C)=O)c2o1
InChIInChI=1S/C11H10BrNO2/c1-3-10-13-9-5-7(12)4-8(6(2)14)11(9)15-10/h4-5H,3H2,1-2H3
InChIKeyIQZJFJDILLAKFU-UHFFFAOYSA-N
XLogP3.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone?
The IUPAC name of 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone (CID 82233371) is 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone is CCc1nc2cc(Br)cc(C(C)=O)c2o1.
What is the InChIKey of 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone?
The InChIKey is IQZJFJDILLAKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-3-10-13-9-5-7(12)4-8(6(2)14)11(9)15-10/h4-5H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone?
1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone has a molecular weight of 268.11 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone is sourced from PubChem (CID 82233371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).