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

C13H12F3N3O2 — CID 134367043

IUPAC2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H12F3N3O2/c1-7(2)11(20)17-9-5-3-8(4-6-9)10-18-12(21-19-10)13(14,15)16/h3-7H,1-2H3,(H,17,20)
InChIKeyFTEBIPOGJWOBQZ-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.35
Rot. Bonds3

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

2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 134367043) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID134367043
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H12F3N3O2/c1-7(2)11(20)17-9-5-3-8(4-6-9)10-18-12(21-19-10)13(14,15)16/h3-7H,1-2H3,(H,17,20)
InChIKeyFTEBIPOGJWOBQZ-UHFFFAOYSA-N
XLogP3.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
tert-butyl N-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]anilino]ethyl]carbamate
CID 153313572
4-(1-hydroxyethyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 126775780
(2S)-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155220226
2-methyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]butanamide
CID 135326242
3-(2-methylpropyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidine-1-carboxamide
CID 126793429

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 134367043) is 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is FTEBIPOGJWOBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7(2)11(20)17-9-5-3-8(4-6-9)10-18-12(21-19-10)13(14,15)16/h3-7H,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 299.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 134367043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).