1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone

C9H10N4O2 — CID 130825741

IUPAC1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cnnn1Cc1coc(C)n1
InChIInChI=1S/C9H10N4O2/c1-6(14)9-3-10-12-13(9)4-8-5-15-7(2)11-8/h3,5H,4H2,1-2H3
InChIKeyOAWGOWUNNYJHAI-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.83
Rot. Bonds3

About 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone

1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone (PubChem CID 130825741) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone
PubChem CID130825741
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cnnn1Cc1coc(C)n1
InChIInChI=1S/C9H10N4O2/c1-6(14)9-3-10-12-13(9)4-8-5-15-7(2)11-8/h3,5H,4H2,1-2H3
InChIKeyOAWGOWUNNYJHAI-UHFFFAOYSA-N
XLogP0.83
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone?
The IUPAC name of 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone (CID 130825741) is 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone is CC(=O)c1cnnn1Cc1coc(C)n1.
What is the InChIKey of 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone?
The InChIKey is OAWGOWUNNYJHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6(14)9-3-10-12-13(9)4-8-5-15-7(2)11-8/h3,5H,4H2,1-2H3.
What are the key properties of 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone?
1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone has a molecular weight of 206.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone is sourced from PubChem (CID 130825741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).