N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide

C15H16F3N3O2 — CID 110368479

IUPACN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)c1nnc(CCNC(=O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H16F3N3O2/c1-9(2)14-21-20-12(23-14)7-8-19-13(22)10-3-5-11(6-4-10)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyIOQZDQMVDKDWFE-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110368479) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID110368479
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)c1nnc(CCNC(=O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H16F3N3O2/c1-9(2)14-21-20-12(23-14)7-8-19-13(22)10-3-5-11(6-4-10)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyIOQZDQMVDKDWFE-UHFFFAOYSA-N
XLogP3.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110368440
2-(4-fluorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368446
N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717526
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717697
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321928
4-fluoro-N-[3-oxo-3-[[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
CID 126445835
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765
4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
CID 126445834
2-(4-chlorophenoxy)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368452
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
CID 110320276
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 110368479) is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide is CC(C)c1nnc(CCNC(=O)c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is IOQZDQMVDKDWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9(2)14-21-20-12(23-14)7-8-19-13(22)10-3-5-11(6-4-10)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 327.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110368479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).