4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide

C20H19F3N4O2 — CID 55898647

IUPAC4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C20H19F3N4O2/c1-12-5-3-4-6-15(12)18-26-17(29-27-18)10-24-16-9-14(8-7-13(16)2)19(28)25-11-20(21,22)23/h3-9,24H,10-11H2,1-2H3,(H,25,28)
InChIKeyMJNKRTVARYIYJL-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.26
Rot. Bonds6

About 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide

4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55898647) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55898647
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C20H19F3N4O2/c1-12-5-3-4-6-15(12)18-26-17(29-27-18)10-24-16-9-14(8-7-13(16)2)19(28)25-11-20(21,22)23/h3-9,24H,10-11H2,1-2H3,(H,25,28)
InChIKeyMJNKRTVARYIYJL-UHFFFAOYSA-N
XLogP4.26
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)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-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55898648
2,2,2-trifluoro-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 78914987
2-methyl-N-[4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]propanamide
CID 55894238
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
N-ethyl-4-methyl-3-[[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 99631138
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620
N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60537386
2-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(tetrazol-1-yl)aniline
CID 47064018
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55785407
2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 100702296
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 55898647) is 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1nc(-c2ccccc2C)no1.
What is the InChIKey of 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MJNKRTVARYIYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12-5-3-4-6-15(12)18-26-17(29-27-18)10-24-16-9-14(8-7-13(16)2)19(28)25-11-20(21,22)23/h3-9,24H,10-11H2,1-2H3,(H,25,28).
What are the key properties of 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 404.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55898647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).