N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

C26H35ClN6O4 — CID 146052997

About N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 146052997) has the molecular formula C26H35ClN6O4 and a molecular weight of 531.06 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• PubChem CID: 146052997
• Molecular Formula: C26H35ClN6O4
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.24
• IUPAC Name: N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• SMILES: CC(C)Cc1cc(C(=O)N2CCN(Cc3noc(CCC(=O)N(C)Cc4ccccc4)n3)CC2)no1.Cl
• InChI: InChI=1S/C26H34N6O4.ClH/c1-19(2)15-21-16-22(28-35-21)26(34)32-13-11-31(12-14-32)18-23-27-24(36-29-23)9-10-25(33)30(3)17-20-7-5-4-6-8-20;/h4-8,16,19H,9-15,17-18H2,1-3H3;1H
• InChIKey: SDVHNWNNWLLURI-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 108.81 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The IUPAC name of N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 146052997) is N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

What is the SMILES notation for N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The canonical SMILES for N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is CC(C)Cc1cc(C(=O)N2CCN(Cc3noc(CCC(=O)N(C)Cc4ccccc4)n3)CC2)no1.Cl.

What is the InChIKey of N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The InChIKey is SDVHNWNNWLLURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4.ClH/c1-19(2)15-21-16-22(28-35-21)26(34)32-13-11-31(12-14-32)18-23-27-24(36-29-23)9-10-25(33)30(3)17-20-7-5-4-6-8-20;/h4-8,16,19H,9-15,17-18H2,1-3H3;1H.

What are the key properties of N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 531.06 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 146052997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).