N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide

C12H14N4O2 — CID 119407873

IUPACN-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESNCCCNC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C12H14N4O2/c13-6-1-7-14-12(17)10-4-2-9(3-5-10)11-15-8-18-16-11/h2-5,8H,1,6-7,13H2,(H,14,17)
InChIKeyBMAYJAUCOHWGOB-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.82
Rot. Bonds5

About N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide

N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 119407873) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID119407873
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESNCCCNC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C12H14N4O2/c13-6-1-7-14-12(17)10-4-2-9(3-5-10)11-15-8-18-16-11/h2-5,8H,1,6-7,13H2,(H,14,17)
InChIKeyBMAYJAUCOHWGOB-UHFFFAOYSA-N
XLogP0.82
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide 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

N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393529
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410
N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 166370425
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159431
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
CID 145159519

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 119407873) is N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide is NCCCNC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is BMAYJAUCOHWGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-6-1-7-14-12(17)10-4-2-9(3-5-10)11-15-8-18-16-11/h2-5,8H,1,6-7,13H2,(H,14,17).
What are the key properties of N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 246.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 119407873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).