1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide

C12H16N6O2 — CID 106388466

IUPAC1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cn(C3CNC3)nn2)o1
InChIInChI=1S/C12H16N6O2/c1-7-3-14-12(20-7)8(2)15-11(19)10-6-18(17-16-10)9-4-13-5-9/h3,6,8-9,13H,4-5H2,1-2H3,(H,15,19)
InChIKeyAPEZLMUYVIYDLG-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.21
Rot. Bonds4

About 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 106388466) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide
PubChem CID106388466
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cn(C3CNC3)nn2)o1
InChIInChI=1S/C12H16N6O2/c1-7-3-14-12(20-7)8(2)15-11(19)10-6-18(17-16-10)9-4-13-5-9/h3,6,8-9,13H,4-5H2,1-2H3,(H,15,19)
InChIKeyAPEZLMUYVIYDLG-UHFFFAOYSA-N
XLogP0.21
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide (CID 106388466) is 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide is Cc1cnc(C(C)NC(=O)c2cn(C3CNC3)nn2)o1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is APEZLMUYVIYDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7-3-14-12(20-7)8(2)15-11(19)10-6-18(17-16-10)9-4-13-5-9/h3,6,8-9,13H,4-5H2,1-2H3,(H,15,19).
What are the key properties of 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 106388466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).