5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide

C18H12ClF6N3O2 — CID 59956651

IUPAC5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide
SMILESCC1(C(F)(F)F)OC(c2ccc(Cl)cc2)=NN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF6N3O2/c1-16(18(23,24)25)28(27-14(30-16)10-2-6-12(19)7-3-10)15(29)26-13-8-4-11(5-9-13)17(20,21)22/h2-9H,1H3,(H,26,29)
InChIKeyTTZFMFKXOOWDQE-UHFFFAOYSA-N
MW451.75 g/mol
LogP5.86
Rot. Bonds2

About 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide

5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide (PubChem CID 59956651) has the molecular formula C18H12ClF6N3O2 and a molecular weight of 451.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide
PubChem CID59956651
Molecular FormulaC18H12ClF6N3O2
Molecular Weight451.75 g/mol
Exact Mass451.05
IUPAC Name5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide
SMILESCC1(C(F)(F)F)OC(c2ccc(Cl)cc2)=NN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF6N3O2/c1-16(18(23,24)25)28(27-14(30-16)10-2-6-12(19)7-3-10)15(29)26-13-8-4-11(5-9-13)17(20,21)22/h2-9H,1H3,(H,26,29)
InChIKeyTTZFMFKXOOWDQE-UHFFFAOYSA-N
XLogP5.86
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.75
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-methyl-4-propoxy-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 18980932
5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980986
2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide
CID 67760925
2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
CID 59956654
5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 10663188

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide (CID 59956651) is 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide is CC1(C(F)(F)F)OC(c2ccc(Cl)cc2)=NN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is TTZFMFKXOOWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF6N3O2/c1-16(18(23,24)25)28(27-14(30-16)10-2-6-12(19)7-3-10)15(29)26-13-8-4-11(5-9-13)17(20,21)22/h2-9H,1H3,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 451.75 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 59956651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).