N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide

C24H26ClF3N4O3 — CID 167409015

About N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide

N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 167409015) has the molecular formula C24H26ClF3N4O3 and a molecular weight of 510.94 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide
• PubChem CID: 167409015
• Molecular Formula: C24H26ClF3N4O3
• Molecular Weight: 510.94 g/mol
• Exact Mass: 510.16
• IUPAC Name: N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide
• SMILES: O=C(NCc1cc2cc(Cl)ccc2o1)C1CCC(c2nnc(N3CCC(C(F)(F)F)CC3)o2)CC1
• InChI: InChI=1S/C24H26ClF3N4O3/c25-18-5-6-20-16(11-18)12-19(34-20)13-29-21(33)14-1-3-15(4-2-14)22-30-31-23(35-22)32-9-7-17(8-10-32)24(26,27)28/h5-6,11-12,14-15,17H,1-4,7-10,13H2,(H,29,33)
• InChIKey: ZOZVIVFSZHWHCO-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 84.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.94
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide?

The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide (CID 167409015) is N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide?

The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide is O=C(NCc1cc2cc(Cl)ccc2o1)C1CCC(c2nnc(N3CCC(C(F)(F)F)CC3)o2)CC1.

What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide?

The InChIKey is ZOZVIVFSZHWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N4O3/c25-18-5-6-20-16(11-18)12-19(34-20)13-29-21(33)14-1-3-15(4-2-14)22-30-31-23(35-22)32-9-7-17(8-10-32)24(26,27)28/h5-6,11-12,14-15,17H,1-4,7-10,13H2,(H,29,33).

What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide?

N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 510.94 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167409015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).