N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C17H12FN5O2 — CID 156583633

IUPACN-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1noc(NC(=O)c2cccn3cnnc23)c1-c1ccc(F)cc1
InChIInChI=1S/C17H12FN5O2/c1-10-14(11-4-6-12(18)7-5-11)17(25-22-10)20-16(24)13-3-2-8-23-9-19-21-15(13)23/h2-9H,1H3,(H,20,24)
InChIKeyYAQPMNTYPLRCQF-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.08
Rot. Bonds3

About N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 156583633) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID156583633
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC NameN-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1noc(NC(=O)c2cccn3cnnc23)c1-c1ccc(F)cc1
InChIInChI=1S/C17H12FN5O2/c1-10-14(11-4-6-12(18)7-5-11)17(25-22-10)20-16(24)13-3-2-8-23-9-19-21-15(13)23/h2-9H,1H3,(H,20,24)
InChIKeyYAQPMNTYPLRCQF-UHFFFAOYSA-N
XLogP3.08
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 155916599
N-[3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 162638483
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118767768
6-(4-fluorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051444
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 154871578
1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 156583926
3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367491
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531
N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83874676
N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)oxolane-3-carboxamide
CID 53166257
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 154817380

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 156583633) is N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1noc(NC(=O)c2cccn3cnnc23)c1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is YAQPMNTYPLRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-10-14(11-4-6-12(18)7-5-11)17(25-22-10)20-16(24)13-3-2-8-23-9-19-21-15(13)23/h2-9H,1H3,(H,20,24).
What are the key properties of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 156583633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).