N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

C18H17F3N4O3 — CID 166981032

IUPACN-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NC2CCC(Oc3ccc(C#N)c(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C18H17F3N4O3/c1-10-24-25-17(27-10)16(26)23-12-3-6-13(7-4-12)28-14-5-2-11(9-22)15(8-14)18(19,20)21/h2,5,8,12-13H,3-4,6-7H2,1H3,(H,23,26)
InChIKeyLWMJFVBMYNTEJW-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.39
Rot. Bonds4

About N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 166981032) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID166981032
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NC2CCC(Oc3ccc(C#N)c(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C18H17F3N4O3/c1-10-24-25-17(27-10)16(26)23-12-3-6-13(7-4-12)28-14-5-2-11(9-22)15(8-14)18(19,20)21/h2,5,8,12-13H,3-4,6-7H2,1H3,(H,23,26)
InChIKeyLWMJFVBMYNTEJW-UHFFFAOYSA-N
XLogP3.39
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-2-(4-formylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 169195178
N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]-4-methoxybenzamide
CID 163399624
4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
CID 46181472
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56648414
N-[5-[4-cyano-3-(trifluoromethyl)phenoxy]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyridine-3-carboxamide
CID 155219142
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
N-[2-[4-cyano-3-(trifluoromethyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazine-2-carboxamide
CID 155218477
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218567
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide
CID 155218576
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830
tert-butyl N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]carbamate
CID 163399584

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 166981032) is N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)NC2CCC(Oc3ccc(C#N)c(C(F)(F)F)c3)CC2)o1.
What is the InChIKey of N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LWMJFVBMYNTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-10-24-25-17(27-10)16(26)23-12-3-6-13(7-4-12)28-14-5-2-11(9-22)15(8-14)18(19,20)21/h2,5,8,12-13H,3-4,6-7H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 166981032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).