N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C17H14FN5O — CID 23647330

IUPACN-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCNc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H14FN5O/c1-2-19-17-22-21-14-8-5-12(9-23(14)17)16-15(20-10-24-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3,(H,19,22)
InChIKeyIWELIULLJBIPIQ-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.62
Rot. Bonds4

About N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 23647330) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID23647330
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC NameN-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCNc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H14FN5O/c1-2-19-17-22-21-14-8-5-12(9-23(14)17)16-15(20-10-24-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3,(H,19,22)
InChIKeyIWELIULLJBIPIQ-UHFFFAOYSA-N
XLogP3.62
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine with MolForge

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Related Compounds

1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
CID 9949821
Triazolopyridine oxazole inhibitor 61
CID 9975266
Triazolopyridine
CID 5289514
Triazolopyridine oxazole inhibitor 55
CID 23647339
Triazolopyridine oxazole inhibitor 56
CID 23647340
Triazolopyridine oxazole inhibitor 6
CID 9902305
Triazolopyridine oxazole inhibitor 71
CID 9906682
Triazolopyridine oxazole inhibitor 32
CID 9922441
Triazolopyridine oxazole inhibitor 46
CID 9923086
Triazolopyridine oxazole inhibitor 41
CID 9944440
Triazolopyridine oxazole inhibitor 33
CID 9944763
Triazolopyridine oxazole inhibitor 3
CID 9944851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 23647330) is N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CCNc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12.
What is the InChIKey of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is IWELIULLJBIPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-2-19-17-22-21-14-8-5-12(9-23(14)17)16-15(20-10-24-16)11-3-6-13(18)7-4-11/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 323.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 23647330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).