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

C6H6N4O — CID 90302615

IUPAC4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole
SMILESCc1n[nH]nc1-c1cocn1
InChIInChI=1S/C6H6N4O/c1-4-6(9-10-8-4)5-2-11-3-7-5/h2-3H,1H3,(H,8,9,10)
InChIKeyDGQNPQXPYWMBGP-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.77
Rot. Bonds1

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

4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole (PubChem CID 90302615) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole
PubChem CID90302615
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole
SMILESCc1n[nH]nc1-c1cocn1
InChIInChI=1S/C6H6N4O/c1-4-6(9-10-8-4)5-2-11-3-7-5/h2-3H,1H3,(H,8,9,10)
InChIKeyDGQNPQXPYWMBGP-UHFFFAOYSA-N
XLogP0.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
The IUPAC name of 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole (CID 90302615) is 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
The canonical SMILES for 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole is Cc1n[nH]nc1-c1cocn1.
What is the InChIKey of 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
The InChIKey is DGQNPQXPYWMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-6(9-10-8-4)5-2-11-3-7-5/h2-3H,1H3,(H,8,9,10).
What are the key properties of 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole has a molecular weight of 150.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 90302615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).