N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide

C26H28F3N3O3 — CID 159346001

IUPACN-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCCc1cccc(CC(NC(=O)C2CCCCC2)c2nnc(-c3cccc(OC(F)(F)F)c3)o2)c1
InChIInChI=1S/C26H28F3N3O3/c1-2-17-8-6-9-18(14-17)15-22(30-23(33)19-10-4-3-5-11-19)25-32-31-24(34-25)20-12-7-13-21(16-20)35-26(27,28)29/h6-9,12-14,16,19,22H,2-5,10-11,15H2,1H3,(H,30,33)
InChIKeyXYNYNSBIFRZYNR-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.18
Rot. Bonds8

About N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide

N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 159346001) has the molecular formula C26H28F3N3O3 and a molecular weight of 487.52 g/mol. Its IUPAC name is N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID159346001
Molecular FormulaC26H28F3N3O3
Molecular Weight487.52 g/mol
Exact Mass487.21
IUPAC NameN-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCCc1cccc(CC(NC(=O)C2CCCCC2)c2nnc(-c3cccc(OC(F)(F)F)c3)o2)c1
InChIInChI=1S/C26H28F3N3O3/c1-2-17-8-6-9-18(14-17)15-22(30-23(33)19-10-4-3-5-11-19)25-32-31-24(34-25)20-12-7-13-21(16-20)35-26(27,28)29/h6-9,12-14,16,19,22H,2-5,10-11,15H2,1H3,(H,30,33)
InChIKeyXYNYNSBIFRZYNR-UHFFFAOYSA-N
XLogP6.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide (CID 159346001) is N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide is CCc1cccc(CC(NC(=O)C2CCCCC2)c2nnc(-c3cccc(OC(F)(F)F)c3)o2)c1.
What is the InChIKey of N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is XYNYNSBIFRZYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O3/c1-2-17-8-6-9-18(14-17)15-22(30-23(33)19-10-4-3-5-11-19)25-32-31-24(34-25)20-12-7-13-21(16-20)35-26(27,28)29/h6-9,12-14,16,19,22H,2-5,10-11,15H2,1H3,(H,30,33).
What are the key properties of N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 487.52 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 159346001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).