3-(1,2-benzoxazol-6-yl)propan-1-ol

C10H11NO2 — CID 117277493

IUPAC3-(1,2-benzoxazol-6-yl)propan-1-ol
SMILESOCCCc1ccc2cnoc2c1
InChIInChI=1S/C10H11NO2/c12-5-1-2-8-3-4-9-7-11-13-10(9)6-8/h3-4,6-7,12H,1-2,5H2
InChIKeyFYPJHODGPXEYNL-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.75
Rot. Bonds3

About 3-(1,2-benzoxazol-6-yl)propan-1-ol

3-(1,2-benzoxazol-6-yl)propan-1-ol (PubChem CID 117277493) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,2-benzoxazol-6-yl)propan-1-ol
PubChem CID117277493
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(1,2-benzoxazol-6-yl)propan-1-ol
SMILESOCCCc1ccc2cnoc2c1
InChIInChI=1S/C10H11NO2/c12-5-1-2-8-3-4-9-7-11-13-10(9)6-8/h3-4,6-7,12H,1-2,5H2
InChIKeyFYPJHODGPXEYNL-UHFFFAOYSA-N
XLogP1.75
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,2-benzoxazol-6-yl)propan-1-ol 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

3-(1,2-benzoxazol-5-yl)propan-1-ol
CID 117277494
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
4-(1-benzofuran-6-yl)butan-1-ol
CID 173058838
7-(2-hydroxyethyl)chromen-2-one
CID 59776471
6-(difluoromethyl)-1,2-benzoxazole
CID 84653295
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)chromen-2-one
CID 58402410
1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine
CID 105454455
N-(1,2-benzoxazol-6-ylmethyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 58852150
2-(1,2-benzoxazol-6-yl)propan-1-amine
CID 82599064
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol
CID 67825501

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzoxazol-6-yl)propan-1-ol?
The IUPAC name of 3-(1,2-benzoxazol-6-yl)propan-1-ol (CID 117277493) is 3-(1,2-benzoxazol-6-yl)propan-1-ol.
What is the SMILES notation for 3-(1,2-benzoxazol-6-yl)propan-1-ol?
The canonical SMILES for 3-(1,2-benzoxazol-6-yl)propan-1-ol is OCCCc1ccc2cnoc2c1.
What is the InChIKey of 3-(1,2-benzoxazol-6-yl)propan-1-ol?
The InChIKey is FYPJHODGPXEYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-5-1-2-8-3-4-9-7-11-13-10(9)6-8/h3-4,6-7,12H,1-2,5H2.
What are the key properties of 3-(1,2-benzoxazol-6-yl)propan-1-ol?
3-(1,2-benzoxazol-6-yl)propan-1-ol has a molecular weight of 177.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzoxazol-6-yl)propan-1-ol is sourced from PubChem (CID 117277493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).