2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole

C7H8N4O — CID 89185722

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCc1nnc(-c2ncco2)n1C
InChIInChI=1S/C7H8N4O/c1-5-9-10-6(11(5)2)7-8-3-4-12-7/h3-4H,1-2H3
InChIKeyNTATZJGHMZNTBA-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.78
Rot. Bonds1

About 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole

2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole (PubChem CID 89185722) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole
PubChem CID89185722
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCc1nnc(-c2ncco2)n1C
InChIInChI=1S/C7H8N4O/c1-5-9-10-6(11(5)2)7-8-3-4-12-7/h3-4H,1-2H3
InChIKeyNTATZJGHMZNTBA-UHFFFAOYSA-N
XLogP0.78
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole (CID 89185722) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole is Cc1nnc(-c2ncco2)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The InChIKey is NTATZJGHMZNTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5-9-10-6(11(5)2)7-8-3-4-12-7/h3-4H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole has a molecular weight of 164.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 89185722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).