3-(2-aminoethoxy)-1,2-benzoxazol-7-ol

C9H10N2O3 — CID 84665269

IUPAC3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
SMILESNCCOc1noc2c(O)cccc12
InChIInChI=1S/C9H10N2O3/c10-4-5-13-9-6-2-1-3-7(12)8(6)14-11-9/h1-3,12H,4-5,10H2
InChIKeyXYMVMNLLYUYSFG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.87
Rot. Bonds3

About 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol

3-(2-aminoethoxy)-1,2-benzoxazol-7-ol (PubChem CID 84665269) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
PubChem CID84665269
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
SMILESNCCOc1noc2c(O)cccc12
InChIInChI=1S/C9H10N2O3/c10-4-5-13-9-6-2-1-3-7(12)8(6)14-11-9/h1-3,12H,4-5,10H2
InChIKeyXYMVMNLLYUYSFG-UHFFFAOYSA-N
XLogP0.87
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol 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 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
The IUPAC name of 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol (CID 84665269) is 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol.
What is the SMILES notation for 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
The canonical SMILES for 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol is NCCOc1noc2c(O)cccc12.
What is the InChIKey of 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
The InChIKey is XYMVMNLLYUYSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-4-5-13-9-6-2-1-3-7(12)8(6)14-11-9/h1-3,12H,4-5,10H2.
What are the key properties of 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
3-(2-aminoethoxy)-1,2-benzoxazol-7-ol has a molecular weight of 194.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol is sourced from PubChem (CID 84665269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).