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

C27H31ClN6O4S — CID 146052986

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

N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 146052986) has the molecular formula C27H31ClN6O4S and a molecular weight of 571.10 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• PubChem CID: 146052986
• Molecular Formula: C27H31ClN6O4S
• Molecular Weight: 571.10 g/mol
• Exact Mass: 570.18
• IUPAC Name: N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• SMILES: CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)no1.Cl
• InChI: InChI=1S/C27H30N6O4S.ClH/c1-2-32(18-20-7-4-3-5-8-20)26(34)11-10-25-28-24(30-37-25)19-31-12-14-33(15-13-31)27(35)21-17-22(36-29-21)23-9-6-16-38-23;/h3-9,16-17H,2,10-15,18-19H2,1H3;1H
• InChIKey: UCQOQPGAHUNKSP-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 108.81 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.10
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 146052986) is N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-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-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The canonical SMILES for N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)no1.Cl.

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

The InChIKey is UCQOQPGAHUNKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4S.ClH/c1-2-32(18-20-7-4-3-5-8-20)26(34)11-10-25-28-24(30-37-25)19-31-12-14-33(15-13-31)27(35)21-17-22(36-29-21)23-9-6-16-38-23;/h3-9,16-17H,2,10-15,18-19H2,1H3;1H.

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

N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 571.10 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 146052986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).