N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride

C21H25ClN4O2S — CID 120856138

About N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride

N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride (PubChem CID 120856138) has the molecular formula C21H25ClN4O2S and a molecular weight of 432.98 g/mol. Its IUPAC name is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
• PubChem CID: 120856138
• Molecular Formula: C21H25ClN4O2S
• Molecular Weight: 432.98 g/mol
• Exact Mass: 432.14
• IUPAC Name: N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
• SMILES: CC(C)c1ccc(C(=O)Nc2sccc2-c2nc(C3(N)CCCC3)no2)cc1.Cl
• InChI: InChI=1S/C21H24N4O2S.ClH/c1-13(2)14-5-7-15(8-6-14)17(26)23-19-16(9-12-28-19)18-24-20(25-27-18)21(22)10-3-4-11-21;/h5-9,12-13H,3-4,10-11,22H2,1-2H3,(H,23,26);1H
• InChIKey: HKFNTZCUELAHMM-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.98
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?

The IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride (CID 120856138) is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride.

What is the SMILES notation for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?

The canonical SMILES for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride is CC(C)c1ccc(C(=O)Nc2sccc2-c2nc(C3(N)CCCC3)no2)cc1.Cl.

What is the InChIKey of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?

The InChIKey is HKFNTZCUELAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.ClH/c1-13(2)14-5-7-15(8-6-14)17(26)23-19-16(9-12-28-19)18-24-20(25-27-18)21(22)10-3-4-11-21;/h5-9,12-13H,3-4,10-11,22H2,1-2H3,(H,23,26);1H.

What are the key properties of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride?

N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride has a molecular weight of 432.98 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 120856138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).