1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide

C24H26ClN3O2 — CID 43973428

About 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 43973428) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
• PubChem CID: 43973428
• Molecular Formula: C24H26ClN3O2
• Molecular Weight: 423.94 g/mol
• Exact Mass: 423.17
• IUPAC Name: 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
• SMILES: CC(C)c1ccc(Cc2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)o2)cc1
• InChI: InChI=1S/C24H26ClN3O2/c1-16(2)18-7-5-17(6-8-18)15-21-27-28-23(30-21)26-22(29)24(13-3-4-14-24)19-9-11-20(25)12-10-19/h5-12,16H,3-4,13-15H2,1-2H3,(H,26,28,29)
• InChIKey: NNNLHMHXWPMVHA-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.94
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (CID 43973428) is 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is CC(C)c1ccc(Cc2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)o2)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?

The InChIKey is NNNLHMHXWPMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16(2)18-7-5-17(6-8-18)15-21-27-28-23(30-21)26-22(29)24(13-3-4-14-24)19-9-11-20(25)12-10-19/h5-12,16H,3-4,13-15H2,1-2H3,(H,26,28,29).

What are the key properties of 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?

1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 43973428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).