1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone

C11H11NO2 — CID 15556349

IUPAC1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone
SMILESCCc1onc2cc(C(C)=O)ccc12
InChIInChI=1S/C11H11NO2/c1-3-11-9-5-4-8(7(2)13)6-10(9)12-14-11/h4-6H,3H2,1-2H3
InChIKeyOGUZRCDXKSMGMQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone

1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone (PubChem CID 15556349) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone
PubChem CID15556349
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone
SMILESCCc1onc2cc(C(C)=O)ccc12
InChIInChI=1S/C11H11NO2/c1-3-11-9-5-4-8(7(2)13)6-10(9)12-14-11/h4-6H,3H2,1-2H3
InChIKeyOGUZRCDXKSMGMQ-UHFFFAOYSA-N
XLogP2.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone?
The IUPAC name of 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone (CID 15556349) is 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone is CCc1onc2cc(C(C)=O)ccc12.
What is the InChIKey of 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone?
The InChIKey is OGUZRCDXKSMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-11-9-5-4-8(7(2)13)6-10(9)12-14-11/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone?
1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone has a molecular weight of 189.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone is sourced from PubChem (CID 15556349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).