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

C11H10ClNO2 — CID 82231129

IUPAC1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
SMILESCCc1nc2cc(C(C)=O)cc(Cl)c2o1
InChIInChI=1S/C11H10ClNO2/c1-3-10-13-9-5-7(6(2)14)4-8(12)11(9)15-10/h4-5H,3H2,1-2H3
InChIKeyDQXYXHCCAJMWGS-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.25
Rot. Bonds2

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

1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone (PubChem CID 82231129) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
PubChem CID82231129
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
SMILESCCc1nc2cc(C(C)=O)cc(Cl)c2o1
InChIInChI=1S/C11H10ClNO2/c1-3-10-13-9-5-7(6(2)14)4-8(12)11(9)15-10/h4-5H,3H2,1-2H3
InChIKeyDQXYXHCCAJMWGS-UHFFFAOYSA-N
XLogP3.25
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone?
The IUPAC name of 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone (CID 82231129) is 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone?
The canonical SMILES for 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone is CCc1nc2cc(C(C)=O)cc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone?
The InChIKey is DQXYXHCCAJMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-3-10-13-9-5-7(6(2)14)4-8(12)11(9)15-10/h4-5H,3H2,1-2H3.
What are the key properties of 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone?
1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone has a molecular weight of 223.66 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone is sourced from PubChem (CID 82231129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).