3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole

C7H6N4O — CID 67416716

IUPAC3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1ncn[nH]1)c1ccon1
InChIInChI=1S/C7H6N4O/c1(6-3-4-12-11-6)2-7-8-5-9-10-7/h1-5H,(H,8,9,10)
InChIKeyOHZBQLRRNXTNMX-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.96
Rot. Bonds2

About 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole

3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole (PubChem CID 67416716) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
PubChem CID67416716
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1ncn[nH]1)c1ccon1
InChIInChI=1S/C7H6N4O/c1(6-3-4-12-11-6)2-7-8-5-9-10-7/h1-5H,(H,8,9,10)
InChIKeyOHZBQLRRNXTNMX-UHFFFAOYSA-N
XLogP0.96
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole (CID 67416716) is 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole is C(=Cc1ncn[nH]1)c1ccon1.
What is the InChIKey of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole?
The InChIKey is OHZBQLRRNXTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1(6-3-4-12-11-6)2-7-8-5-9-10-7/h1-5H,(H,8,9,10).
What are the key properties of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole?
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole has a molecular weight of 162.15 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 67416716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).