N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C22H20ClF3N4O2 — CID 165399662

IUPACN-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H20ClF3N4O2/c23-17-8-5-15(6-9-17)21-30-29-20(32-21)14-3-1-13(2-4-14)11-28-19(31)18-10-7-16(12-27-18)22(24,25)26/h5-10,12-14H,1-4,11H2,(H,28,31)
InChIKeyISSGFJMLSDTAIG-UHFFFAOYSA-N
MW464.88 g/mol
LogP5.51
Rot. Bonds5

About N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165399662) has the molecular formula C22H20ClF3N4O2 and a molecular weight of 464.88 g/mol. Its IUPAC name is N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID165399662
Molecular FormulaC22H20ClF3N4O2
Molecular Weight464.88 g/mol
Exact Mass464.12
IUPAC NameN-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H20ClF3N4O2/c23-17-8-5-15(6-9-17)21-30-29-20(32-21)14-3-1-13(2-4-14)11-28-19(31)18-10-7-16(12-27-18)22(24,25)26/h5-10,12-14H,1-4,11H2,(H,28,31)
InChIKeyISSGFJMLSDTAIG-UHFFFAOYSA-N
XLogP5.51
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.88
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 165399662) is N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCC1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ISSGFJMLSDTAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2/c23-17-8-5-15(6-9-17)21-30-29-20(32-21)14-3-1-13(2-4-14)11-28-19(31)18-10-7-16(12-27-18)22(24,25)26/h5-10,12-14H,1-4,11H2,(H,28,31).
What are the key properties of N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 464.88 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 165399662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).