3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide

C18H19N5O2 — CID 110260343

IUPAC3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C3CCc4nncn4C3)cc2)on1
InChIInChI=1S/C18H19N5O2/c1-2-14-9-16(25-22-14)18(24)20-15-6-3-12(4-7-15)13-5-8-17-21-19-11-23(17)10-13/h3-4,6-7,9,11,13H,2,5,8,10H2,1H3,(H,20,24)
InChIKeyZOZLXQLDEBKCSU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.81
Rot. Bonds4

About 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide

3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 110260343) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID110260343
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C3CCc4nncn4C3)cc2)on1
InChIInChI=1S/C18H19N5O2/c1-2-14-9-16(25-22-14)18(24)20-15-6-3-12(4-7-15)13-5-8-17-21-19-11-23(17)10-13/h3-4,6-7,9,11,13H,2,5,8,10H2,1H3,(H,20,24)
InChIKeyZOZLXQLDEBKCSU-UHFFFAOYSA-N
XLogP2.81
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide (CID 110260343) is 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(C3CCc4nncn4C3)cc2)on1.
What is the InChIKey of 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZOZLXQLDEBKCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-14-9-16(25-22-14)18(24)20-15-6-3-12(4-7-15)13-5-8-17-21-19-11-23(17)10-13/h3-4,6-7,9,11,13H,2,5,8,10H2,1H3,(H,20,24).
What are the key properties of 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide?
3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110260343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).