N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride

C71H88ClF6N13O10 — CID 160681382

About N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride

N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 160681382) has the molecular formula C71H88ClF6N13O10 and a molecular weight of 1433.01 g/mol. Its IUPAC name is N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride
• PubChem CID: 160681382
• Molecular Formula: C71H88ClF6N13O10
• Molecular Weight: 1433.01 g/mol
• Exact Mass: 1431.64
• IUPAC Name: N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride
• SMILES: CC(C)c1nnc(C2CCC(C(=O)O)CC2)o1.CC(C)c1nnc(C2CCC(CC(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)o1.CC(C)c1nnc(C2CCC(N)CC2)o1.Cl.O=C(CCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)Oc1ccccc1
• InChI: InChI=1S/C27H32F3N5O3.C21H18F3N3O3.C12H18N2O3.C11H19N3O.ClH/c1-17(2)25-32-33-26(38-25)19-12-10-18(11-13-19)15-21(36)9-6-14-31-24(37)22-16-35(20-7-4-3-5-8-20)34-23(22)27(28,29)30;22-21(23,24)19-17(14-27(26-19)15-8-3-1-4-9-15)20(29)25-13-7-12-18(28)30-16-10-5-2-6-11-16;1-7(2)10-13-14-11(17-10)8-3-5-9(6-4-8)12(15)16;1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8;/h3-5,7-8,16-19H,6,9-15H2,1-2H3,(H,31,37);1-6,8-11,14H,7,12-13H2,(H,25,29);7-9H,3-6H2,1-2H3,(H,15,16);7-9H,3-6,12H2,1-2H3;1H
• InChIKey: RPLYXNJRPJSXFQ-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 317.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.01
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride?

The IUPAC name of N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride (CID 160681382) is N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride.

What is the SMILES notation for N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride?

The canonical SMILES for N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride is CC(C)c1nnc(C2CCC(C(=O)O)CC2)o1.CC(C)c1nnc(C2CCC(CC(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)o1.CC(C)c1nnc(C2CCC(N)CC2)o1.Cl.O=C(CCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)Oc1ccccc1.

What is the InChIKey of N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride?

The InChIKey is RPLYXNJRPJSXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3.C21H18F3N3O3.C12H18N2O3.C11H19N3O.ClH/c1-17(2)25-32-33-26(38-25)19-12-10-18(11-13-19)15-21(36)9-6-14-31-24(37)22-16-35(20-7-4-3-5-8-20)34-23(22)27(28,29)30;22-21(23,24)19-17(14-27(26-19)15-8-3-1-4-9-15)20(29)25-13-7-12-18(28)30-16-10-5-2-6-11-16;1-7(2)10-13-14-11(17-10)8-3-5-9(6-4-8)12(15)16;1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8;/h3-5,7-8,16-19H,6,9-15H2,1-2H3,(H,31,37);1-6,8-11,14H,7,12-13H2,(H,25,29);7-9H,3-6H2,1-2H3,(H,15,16);7-9H,3-6,12H2,1-2H3;1H.

What are the key properties of N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride?

N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 1433.01 g/mol, XLogP of 15.00, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;phenyl 4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoate;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexan-1-amine;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 160681382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).