2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C12H15N3O — CID 61335871

IUPAC2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CCc2ccccc2)n1
InChIInChI=1S/C12H15N3O/c13-9-8-11-14-12(16-15-11)7-6-10-4-2-1-3-5-10/h1-5H,6-9,13H2
InChIKeySEVNGFCRFFZORX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.36
Rot. Bonds5

About 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61335871) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61335871
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CCc2ccccc2)n1
InChIInChI=1S/C12H15N3O/c13-9-8-11-14-12(16-15-11)7-6-10-4-2-1-3-5-10/h1-5H,6-9,13H2
InChIKeySEVNGFCRFFZORX-UHFFFAOYSA-N
XLogP1.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine 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-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 62504146
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652975
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
2-methyl-N-[2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61385551
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115078870
2-[4-methyl-6-(2-phenylethyl)-1,3,5-triazin-2-yl]ethanamine
CID 96662102
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61335871) is 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(CCc2ccccc2)n1.
What is the InChIKey of 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is SEVNGFCRFFZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-8-11-14-12(16-15-11)7-6-10-4-2-1-3-5-10/h1-5H,6-9,13H2.
What are the key properties of 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61335871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).