N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride

C19H27ClN4O2 — CID 119605262

About N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (PubChem CID 119605262) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
• PubChem CID: 119605262
• Molecular Formula: C19H27ClN4O2
• Molecular Weight: 378.90 g/mol
• Exact Mass: 378.18
• IUPAC Name: N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
• SMILES: CC(C)(C)c1noc(-c2ccccc2C(=O)NC2CCCC2CN)n1.Cl
• InChI: InChI=1S/C19H26N4O2.ClH/c1-19(2,3)18-22-17(25-23-18)14-9-5-4-8-13(14)16(24)21-15-10-6-7-12(15)11-20;/h4-5,8-9,12,15H,6-7,10-11,20H2,1-3H3,(H,21,24);1H
• InChIKey: OLTGWLKEDKNVEM-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.90
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?

The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (CID 119605262) is N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.

What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?

The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is CC(C)(C)c1noc(-c2ccccc2C(=O)NC2CCCC2CN)n1.Cl.

What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?

The InChIKey is OLTGWLKEDKNVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-19(2,3)18-22-17(25-23-18)14-9-5-4-8-13(14)16(24)21-15-10-6-7-12(15)11-20;/h4-5,8-9,12,15H,6-7,10-11,20H2,1-3H3,(H,21,24);1H.

What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?

N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 119605262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).