N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

C19H15FN6O2 — CID 53170276

IUPACN-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3cn(-c4cccc(F)c4)nn3)no2)cc1C
InChIInChI=1S/C19H15FN6O2/c1-11-6-7-14(8-12(11)2)21-18(27)19-22-17(24-28-19)16-10-26(25-23-16)15-5-3-4-13(20)9-15/h3-10H,1-2H3,(H,21,27)
InChIKeyXJSUAGFJOLHFKB-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.33
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53170276) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53170276
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC NameN-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3cn(-c4cccc(F)c4)nn3)no2)cc1C
InChIInChI=1S/C19H15FN6O2/c1-11-6-7-14(8-12(11)2)21-18(27)19-22-17(24-28-19)16-10-26(25-23-16)15-5-3-4-13(20)9-15/h3-10H,1-2H3,(H,21,27)
InChIKeyXJSUAGFJOLHFKB-UHFFFAOYSA-N
XLogP3.33
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 53170273
N-[(4-ethylphenyl)methyl]-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170381
N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170232
N-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170384
3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 53170403
N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53170354
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
3-[1-(4-chlorophenyl)triazol-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53170395
3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53169988
methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate
CID 119051518
N-(4-fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520978

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (CID 53170276) is N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(NC(=O)c2nc(-c3cn(-c4cccc(F)c4)nn3)no2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XJSUAGFJOLHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-11-6-7-14(8-12(11)2)21-18(27)19-22-17(24-28-19)16-10-26(25-23-16)15-5-3-4-13(20)9-15/h3-10H,1-2H3,(H,21,27).
What are the key properties of N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53170276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).