N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C19H15FN6O2 — CID 162638483

IUPACN-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCCc1noc(NC(=O)c2cccc(-n3cnnc3)n2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c1-2-14-17(12-6-8-13(20)9-7-12)19(28-25-14)24-18(27)15-4-3-5-16(23-15)26-10-21-22-11-26/h3-11H,2H2,1H3,(H,24,27)
InChIKeyZIGKJSDMKSZYOP-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.27
Rot. Bonds5

About N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 162638483) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID162638483
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC NameN-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCCc1noc(NC(=O)c2cccc(-n3cnnc3)n2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c1-2-14-17(12-6-8-13(20)9-7-12)19(28-25-14)24-18(27)15-4-3-5-16(23-15)26-10-21-22-11-26/h3-11H,2H2,1H3,(H,24,27)
InChIKeyZIGKJSDMKSZYOP-UHFFFAOYSA-N
XLogP3.27
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
N-(2-methoxyphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586956
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134707369
N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 29344600
N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 156583633
N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587016
N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134712672
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 131933497
N-[4-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133276
N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 155916599
3-ethyl-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51199261

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 162638483) is N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is CCc1noc(NC(=O)c2cccc(-n3cnnc3)n2)c1-c1ccc(F)cc1.
What is the InChIKey of N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is ZIGKJSDMKSZYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-2-14-17(12-6-8-13(20)9-7-12)19(28-25-14)24-18(27)15-4-3-5-16(23-15)26-10-21-22-11-26/h3-11H,2H2,1H3,(H,24,27).
What are the key properties of N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162638483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).