N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide

C11H8F3N3O2 — CID 15212148

IUPACN-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H8F3N3O2/c1-6-15-10(17-19-6)16-9(18)7-2-4-8(5-3-7)11(12,13)14/h2-5H,1H3,(H,16,17,18)
InChIKeyMXVSPFPLMWTPAO-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.65
Rot. Bonds2

About N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide

N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 15212148) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID15212148
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H8F3N3O2/c1-6-15-10(17-19-6)16-9(18)7-2-4-8(5-3-7)11(12,13)14/h2-5H,1H3,(H,16,17,18)
InChIKeyMXVSPFPLMWTPAO-UHFFFAOYSA-N
XLogP2.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 59581444
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide
CID 108727760
N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide
CID 136782525
N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-4-(trifluoromethyl)benzamide
CID 110734956
N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 122581614
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 110860959
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide (CID 15212148) is N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is MXVSPFPLMWTPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6-15-10(17-19-6)16-9(18)7-2-4-8(5-3-7)11(12,13)14/h2-5H,1H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 271.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 15212148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).