3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride

C13H15ClN4O2 — CID 120862919

IUPAC3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(C(=O)Nc3ccccc3)n2)CCC1
InChIInChI=1S/C13H14N4O2.ClH/c14-13(7-4-8-13)12-16-11(19-17-12)10(18)15-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,14H2,(H,15,18);1H
InChIKeyRUISQZXAKBDZBA-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.08
Rot. Bonds3

About 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride

3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride (PubChem CID 120862919) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
PubChem CID120862919
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(C(=O)Nc3ccccc3)n2)CCC1
InChIInChI=1S/C13H14N4O2.ClH/c14-13(7-4-8-13)12-16-11(19-17-12)10(18)15-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,14H2,(H,15,18);1H
InChIKeyRUISQZXAKBDZBA-UHFFFAOYSA-N
XLogP2.08
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride 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-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride
CID 120856445
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea
CID 120856446
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120853046
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 120861770
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120855011
1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854979
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
CID 120863605
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride (CID 120862919) is 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride is Cl.NC1(c2noc(C(=O)Nc3ccccc3)n2)CCC1.
What is the InChIKey of 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The InChIKey is RUISQZXAKBDZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2.ClH/c14-13(7-4-8-13)12-16-11(19-17-12)10(18)15-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,14H2,(H,15,18);1H.
What are the key properties of 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride has a molecular weight of 294.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120862919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).