5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C70H73F3N12O4 — CID 161259902

About 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 161259902) has the molecular formula C70H73F3N12O4 and a molecular weight of 1203.43 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 161259902
• Molecular Formula: C70H73F3N12O4
• Molecular Weight: 1203.43 g/mol
• Exact Mass: 1202.58
• IUPAC Name: 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCC(c1ccccc1)c1nc(-c2ccncc2)no1.CCCCC1CCC(c2nc(-c3ccncc3)no2)CC1.CN(C)Cc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.c1cc(-c2noc(C3CCCCC3)n2)ccn1
• InChI: InChI=1S/C24H20F3N3O.C17H23N3O.C16H15N3O.C13H15N3O/c1-30(2)15-16-8-10-18(11-9-16)22-28-23(31-29-22)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-2-14(12-6-4-3-5-7-12)16-18-15(19-20-16)13-8-10-17-11-9-13;1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h3-14H,15H2,1-2H3;9-13,15H,2-8H2,1H3;3-11,14H,2H2,1H3;6-9,11H,1-5H2
• InChIKey: VCKMMNWVJFCHPP-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 197.59 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1203.43
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 161259902) is 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCC(c1ccccc1)c1nc(-c2ccncc2)no1.CCCCC1CCC(c2nc(-c3ccncc3)no2)CC1.CN(C)Cc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.c1cc(-c2noc(C3CCCCC3)n2)ccn1.

What is the InChIKey of 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is VCKMMNWVJFCHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O.C17H23N3O.C16H15N3O.C13H15N3O/c1-30(2)15-16-8-10-18(11-9-16)22-28-23(31-29-22)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-2-14(12-6-4-3-5-7-12)16-18-15(19-20-16)13-8-10-17-11-9-13;1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h3-14H,15H2,1-2H3;9-13,15H,2-8H2,1H3;3-11,14H,2H2,1H3;6-9,11H,1-5H2.

What are the key properties of 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1203.43 g/mol, XLogP of 17.60, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 161259902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).