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

C26H28F3N3O2 — CID 83289080

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

N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide (PubChem CID 83289080) has the molecular formula C26H28F3N3O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide
• PubChem CID: 83289080
• Molecular Formula: C26H28F3N3O2
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.21
• IUPAC Name: N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide
• SMILES: O=C(CCc1ccccc1)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)C1CCCCC1
• InChI: InChI=1S/C26H28F3N3O2/c27-26(28,29)21-11-7-10-20(18-21)25-30-23(34-31-25)16-17-32(22-12-5-2-6-13-22)24(33)15-14-19-8-3-1-4-9-19/h1,3-4,7-11,18,22H,2,5-6,12-17H2
• InChIKey: QWCMBPRBGHPHEM-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide?

The IUPAC name of N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide (CID 83289080) is N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide.

What is the SMILES notation for N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide?

The canonical SMILES for N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide is O=C(CCc1ccccc1)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide?

The InChIKey is QWCMBPRBGHPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O2/c27-26(28,29)21-11-7-10-20(18-21)25-30-23(34-31-25)16-17-32(22-12-5-2-6-13-22)24(33)15-14-19-8-3-1-4-9-19/h1,3-4,7-11,18,22H,2,5-6,12-17H2.

What are the key properties of N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide?

N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide has a molecular weight of 471.52 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide is sourced from PubChem (CID 83289080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).