2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C10H12N6O3 — CID 66214593

IUPAC2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2cc(C=O)nn2)o1
InChIInChI=1S/C10H12N6O3/c1-6(2)9-13-14-10(19-9)11-8(18)4-16-3-7(5-17)12-15-16/h3,5-6H,4H2,1-2H3,(H,11,14,18)
InChIKeyZIMLXRIVTYGZJL-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.24
Rot. Bonds5

About 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 66214593) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID66214593
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2cc(C=O)nn2)o1
InChIInChI=1S/C10H12N6O3/c1-6(2)9-13-14-10(19-9)11-8(18)4-16-3-7(5-17)12-15-16/h3,5-6H,4H2,1-2H3,(H,11,14,18)
InChIKeyZIMLXRIVTYGZJL-UHFFFAOYSA-N
XLogP0.24
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 66214593) is 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cn2cc(C=O)nn2)o1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ZIMLXRIVTYGZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-6(2)9-13-14-10(19-9)11-8(18)4-16-3-7(5-17)12-15-16/h3,5-6H,4H2,1-2H3,(H,11,14,18).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 264.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 66214593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).