N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C18H20F3N3O2 — CID 31164321

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCCCC2)no1
InChIInChI=1S/C18H20F3N3O2/c1-12-22-16(24-26-12)17(9-3-2-4-10-17)23-15(25)11-13-5-7-14(8-6-13)18(19,20)21/h5-8H,2-4,9-11H2,1H3,(H,23,25)
InChIKeyDMIJEDBXTZWERH-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 31164321) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID31164321
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCCCC2)no1
InChIInChI=1S/C18H20F3N3O2/c1-12-22-16(24-26-12)17(9-3-2-4-10-17)23-15(25)11-13-5-7-14(8-6-13)18(19,20)21/h5-8H,2-4,9-11H2,1H3,(H,23,25)
InChIKeyDMIJEDBXTZWERH-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 31164321) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1nc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DMIJEDBXTZWERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12-22-16(24-26-12)17(9-3-2-4-10-17)23-15(25)11-13-5-7-14(8-6-13)18(19,20)21/h5-8H,2-4,9-11H2,1H3,(H,23,25).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 31164321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).