5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C13H16N4O2 — CID 102791190

IUPAC5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2ccccc2CCN)n1
InChIInChI=1S/C13H16N4O2/c1-2-15-12(18)11-16-13(19-17-11)10-6-4-3-5-9(10)7-8-14/h3-6H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyKBGMHNBQPWPYKE-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.99
Rot. Bonds5

About 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791190) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791190
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2ccccc2CCN)n1
InChIInChI=1S/C13H16N4O2/c1-2-15-12(18)11-16-13(19-17-11)10-6-4-3-5-9(10)7-8-14/h3-6H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyKBGMHNBQPWPYKE-UHFFFAOYSA-N
XLogP0.99
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide 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

5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926665
5-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791283
2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 115345494
2-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007721
5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791281
2-[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116702123
2-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65133289
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3348278
5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791120
2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676
5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527913

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791190) is 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(-c2ccccc2CCN)n1.
What is the InChIKey of 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KBGMHNBQPWPYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-15-12(18)11-16-13(19-17-11)10-6-4-3-5-9(10)7-8-14/h3-6H,2,7-8,14H2,1H3,(H,15,18).
What are the key properties of 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).