1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride

C15H27ClN4O2 — CID 119634070

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride

1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride (PubChem CID 119634070) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
• PubChem CID: 119634070
• Molecular Formula: C15H27ClN4O2
• Molecular Weight: 330.86 g/mol
• Exact Mass: 330.18
• IUPAC Name: 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
• SMILES: CC(C)(C)c1noc(CCCC(=O)N2CCCC2CN)n1.Cl
• InChI: InChI=1S/C15H26N4O2.ClH/c1-15(2,3)14-17-12(21-18-14)7-4-8-13(20)19-9-5-6-11(19)10-16;/h11H,4-10,16H2,1-3H3;1H
• InChIKey: PSJQIKCBAQYMFH-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.86
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride (CID 119634070) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride.

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

The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride is CC(C)(C)c1noc(CCCC(=O)N2CCCC2CN)n1.Cl.

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

The InChIKey is PSJQIKCBAQYMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-15(2,3)14-17-12(21-18-14)7-4-8-13(20)19-9-5-6-11(19)10-16;/h11H,4-10,16H2,1-3H3;1H.

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

1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119634070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).