6-ethyl-3H-1,3-benzoxazol-2-one

C9H9NO2 — CID 12891148

IUPAC6-ethyl-3H-1,3-benzoxazol-2-one
SMILESCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H9NO2/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyBQIHAYHNMVVRAN-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.68
Rot. Bonds1

About 6-ethyl-3H-1,3-benzoxazol-2-one

6-ethyl-3H-1,3-benzoxazol-2-one (PubChem CID 12891148) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-ethyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-ethyl-3H-1,3-benzoxazol-2-one
PubChem CID12891148
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6-ethyl-3H-1,3-benzoxazol-2-one
SMILESCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H9NO2/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyBQIHAYHNMVVRAN-UHFFFAOYSA-N
XLogP1.68
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-ethyl-3H-1,3-benzoxazol-2-one (CID 12891148) is 6-ethyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-ethyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-ethyl-3H-1,3-benzoxazol-2-one is CCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-ethyl-3H-1,3-benzoxazol-2-one?
The InChIKey is BQIHAYHNMVVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethyl-3H-1,3-benzoxazol-2-one?
6-ethyl-3H-1,3-benzoxazol-2-one has a molecular weight of 163.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 12891148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).