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

C5H4N4O — CID 91585293

IUPAC4-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1nc(-c2cn[nH]n2)co1
InChIInChI=1S/C5H4N4O/c1-4(8-9-7-1)5-2-10-3-6-5/h1-3H,(H,7,8,9)
InChIKeyXGCFNSWJAHCJQV-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.46
Rot. Bonds1

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

4-(2H-triazol-4-yl)-1,3-oxazole (PubChem CID 91585293) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 4-(2H-triazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2H-triazol-4-yl)-1,3-oxazole
PubChem CID91585293
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name4-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1nc(-c2cn[nH]n2)co1
InChIInChI=1S/C5H4N4O/c1-4(8-9-7-1)5-2-10-3-6-5/h1-3H,(H,7,8,9)
InChIKeyXGCFNSWJAHCJQV-UHFFFAOYSA-N
XLogP0.46
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yl)-1,3-oxazole?
The IUPAC name of 4-(2H-triazol-4-yl)-1,3-oxazole (CID 91585293) is 4-(2H-triazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-(2H-triazol-4-yl)-1,3-oxazole?
The canonical SMILES for 4-(2H-triazol-4-yl)-1,3-oxazole is c1nc(-c2cn[nH]n2)co1.
What is the InChIKey of 4-(2H-triazol-4-yl)-1,3-oxazole?
The InChIKey is XGCFNSWJAHCJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c1-4(8-9-7-1)5-2-10-3-6-5/h1-3H,(H,7,8,9).
What are the key properties of 4-(2H-triazol-4-yl)-1,3-oxazole?
4-(2H-triazol-4-yl)-1,3-oxazole has a molecular weight of 136.11 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 91585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).