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

C23H24ClN3O2S — CID 43975330

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

1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 43975330) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
• PubChem CID: 43975330
• Molecular Formula: C23H24ClN3O2S
• Molecular Weight: 441.98 g/mol
• Exact Mass: 441.13
• IUPAC Name: 1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
• SMILES: CCSc1ccc(Cc2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)o2)cc1
• InChI: InChI=1S/C23H24ClN3O2S/c1-2-30-19-11-5-16(6-12-19)15-20-26-27-22(29-20)25-21(28)23(13-3-4-14-23)17-7-9-18(24)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,25,27,28)
• InChIKey: MOIMIKAUQGIDBM-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.98
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (CID 43975330) is 1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is CCSc1ccc(Cc2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)o2)cc1.

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

The InChIKey is MOIMIKAUQGIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-2-30-19-11-5-16(6-12-19)15-20-26-27-22(29-20)25-21(28)23(13-3-4-14-23)17-7-9-18(24)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,25,27,28).

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

1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 441.98 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 43975330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).