2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol

C12H15N3O2 — CID 114183507

IUPAC2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ncon1)c1ccccc1O
InChIInChI=1S/C12H15N3O2/c1-9(10-4-2-3-5-11(10)16)13-7-6-12-14-8-17-15-12/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyNRJWBAKVPVURIK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds5

About 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol

2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol (PubChem CID 114183507) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
PubChem CID114183507
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ncon1)c1ccccc1O
InChIInChI=1S/C12H15N3O2/c1-9(10-4-2-3-5-11(10)16)13-7-6-12-14-8-17-15-12/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyNRJWBAKVPVURIK-UHFFFAOYSA-N
XLogP1.67
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]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

1-(2-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396340
1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 114183393
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
2-[1-(1,2,4-oxadiazol-3-ylmethylamino)propyl]phenol
CID 114183127
1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396498
4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol
CID 114183050
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396288
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395346
1-(3-fluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395709
1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395806
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol (CID 114183507) is 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol is CC(NCCc1ncon1)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
The InChIKey is NRJWBAKVPVURIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(10-4-2-3-5-11(10)16)13-7-6-12-14-8-17-15-12/h2-5,8-9,13,16H,6-7H2,1H3.
What are the key properties of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 114183507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).