6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one

C11H13NO3 — CID 61089511

IUPAC6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
SMILESCCCC(O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H13NO3/c1-2-3-9(13)7-4-5-8-10(6-7)15-11(14)12-8/h4-6,9,13H,2-3H2,1H3,(H,12,14)
InChIKeyPXBSRTAQMDCVCY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.95
Rot. Bonds3

About 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one

6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one (PubChem CID 61089511) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
PubChem CID61089511
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
SMILESCCCC(O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H13NO3/c1-2-3-9(13)7-4-5-8-10(6-7)15-11(14)12-8/h4-6,9,13H,2-3H2,1H3,(H,12,14)
InChIKeyPXBSRTAQMDCVCY-UHFFFAOYSA-N
XLogP1.95
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1-hydroxybutyl)-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

Related Compounds

6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid
CID 43322377
6-(1-hydroxy-2-oxobutyl)-3H-1,3-benzoxazol-2-one
CID 116835871
6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 61089171
6-(1-chlorodecyl)-3H-1,3-benzoxazol-2-one
CID 65426013
6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
CID 63047192
6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
CID 126621176
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
5-(1-hydroxy-3-sulfanylpropyl)-3H-1,3-benzoxazol-2-one
CID 116831038
6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089164
3,4-dihydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoic acid
CID 171877904

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one (CID 61089511) is 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one is CCCC(O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is PXBSRTAQMDCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-3-9(13)7-4-5-8-10(6-7)15-11(14)12-8/h4-6,9,13H,2-3H2,1H3,(H,12,14).
What are the key properties of 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one?
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 61089511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).