N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide

C25H19Cl2N5O4 — CID 175471284

About N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide

N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 175471284) has the molecular formula C25H19Cl2N5O4 and a molecular weight of 524.36 g/mol. Its IUPAC name is N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 175471284
• Molecular Formula: C25H19Cl2N5O4
• Molecular Weight: 524.36 g/mol
• Exact Mass: 523.08
• IUPAC Name: N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
• SMILES: O=C(NC1CCC(c2nnc(-c3cc4cc(Cl)ccc4o3)o2)CC1)c1nc(-c2ccc(Cl)cc2)no1
• InChI: InChI=1S/C25H19Cl2N5O4/c26-16-5-1-13(2-6-16)21-29-25(36-32-21)22(33)28-18-8-3-14(4-9-18)23-30-31-24(35-23)20-12-15-11-17(27)7-10-19(15)34-20/h1-2,5-7,10-12,14,18H,3-4,8-9H2,(H,28,33)
• InChIKey: DORYIURWENWEIQ-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 120.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.36
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide (CID 175471284) is N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCC(c2nnc(-c3cc4cc(Cl)ccc4o3)o2)CC1)c1nc(-c2ccc(Cl)cc2)no1.

What is the InChIKey of N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is DORYIURWENWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O4/c26-16-5-1-13(2-6-16)21-29-25(36-32-21)22(33)28-18-8-3-14(4-9-18)23-30-31-24(35-23)20-12-15-11-17(27)7-10-19(15)34-20/h1-2,5-7,10-12,14,18H,3-4,8-9H2,(H,28,33).

What are the key properties of N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide?

N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 524.36 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 175471284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).