N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide

C13H12N6O2 — CID 155546567

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3ccncc3)nn2)no1
InChIInChI=1S/C13H12N6O2/c1-9-6-12(17-21-9)15-13(20)8-19-7-11(16-18-19)10-2-4-14-5-3-10/h2-7H,8H2,1H3,(H,15,17,20)
InChIKeyLUODLLBXBOTSSK-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.28
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide (PubChem CID 155546567) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
PubChem CID155546567
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3ccncc3)nn2)no1
InChIInChI=1S/C13H12N6O2/c1-9-6-12(17-21-9)15-13(20)8-19-7-11(16-18-19)10-2-4-14-5-3-10/h2-7H,8H2,1H3,(H,15,17,20)
InChIKeyLUODLLBXBOTSSK-UHFFFAOYSA-N
XLogP1.28
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide (CID 155546567) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2cc(-c3ccncc3)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
The InChIKey is LUODLLBXBOTSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-9-6-12(17-21-9)15-13(20)8-19-7-11(16-18-19)10-2-4-14-5-3-10/h2-7H,8H2,1H3,(H,15,17,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide has a molecular weight of 284.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide is sourced from PubChem (CID 155546567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).