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

C10H11NO2 — CID 10821183

IUPAC6-propyl-3H-1,3-benzoxazol-2-one
SMILESCCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H11NO2/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyBHKHWWAQQHYIHE-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.07
Rot. Bonds2

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

6-propyl-3H-1,3-benzoxazol-2-one (PubChem CID 10821183) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-propyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-propyl-3H-1,3-benzoxazol-2-one
PubChem CID10821183
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-propyl-3H-1,3-benzoxazol-2-one
SMILESCCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H11NO2/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyBHKHWWAQQHYIHE-UHFFFAOYSA-N
XLogP2.07
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-propyl-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-propyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-propyl-3H-1,3-benzoxazol-2-one (CID 10821183) is 6-propyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-propyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-propyl-3H-1,3-benzoxazol-2-one is CCCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-propyl-3H-1,3-benzoxazol-2-one?
The InChIKey is BHKHWWAQQHYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 6-propyl-3H-1,3-benzoxazol-2-one?
6-propyl-3H-1,3-benzoxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 10821183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).