3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol

C15H14N2O3 — CID 23368384

IUPAC3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol
SMILESNC(COc1noc2ccccc12)c1cccc(O)c1
InChIInChI=1S/C15H14N2O3/c16-13(10-4-3-5-11(18)8-10)9-19-15-12-6-1-2-7-14(12)20-17-15/h1-8,13,18H,9,16H2
InChIKeyHQLSXJMXKAAXMY-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.61
Rot. Bonds4

About 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol

3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol (PubChem CID 23368384) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol.

Molecular Properties

Compound Name3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol
PubChem CID23368384
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol
SMILESNC(COc1noc2ccccc12)c1cccc(O)c1
InChIInChI=1S/C15H14N2O3/c16-13(10-4-3-5-11(18)8-10)9-19-15-12-6-1-2-7-14(12)20-17-15/h1-8,13,18H,9,16H2
InChIKeyHQLSXJMXKAAXMY-UHFFFAOYSA-N
XLogP2.61
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol 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-amino-2-[(5-chloro-1,2-benzoxazol-3-yl)oxy]ethyl]phenol
CID 23368377
(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558
3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol
CID 23368503
[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate
CID 67733596
2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride
CID 23368361
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
3-[1-amino-2-(3-bromophenoxy)ethyl]phenol
CID 117242719
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol?
The IUPAC name of 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol (CID 23368384) is 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol.
What is the SMILES notation for 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol?
The canonical SMILES for 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol is NC(COc1noc2ccccc12)c1cccc(O)c1.
What is the InChIKey of 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol?
The InChIKey is HQLSXJMXKAAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-13(10-4-3-5-11(18)8-10)9-19-15-12-6-1-2-7-14(12)20-17-15/h1-8,13,18H,9,16H2.
What are the key properties of 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol?
3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol has a molecular weight of 270.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol is sourced from PubChem (CID 23368384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).