5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile

C8H7N5O — CID 122478869

IUPAC5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile
SMILESCCc1nc(-c2n[nH]nc2C#N)co1
InChIInChI=1S/C8H7N5O/c1-2-7-10-6(4-14-7)8-5(3-9)11-13-12-8/h4H,2H2,1H3,(H,11,12,13)
InChIKeyYEHBQMDWYMZUEX-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.89
Rot. Bonds2

About 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile

5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile (PubChem CID 122478869) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile
PubChem CID122478869
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile
SMILESCCc1nc(-c2n[nH]nc2C#N)co1
InChIInChI=1S/C8H7N5O/c1-2-7-10-6(4-14-7)8-5(3-9)11-13-12-8/h4H,2H2,1H3,(H,11,12,13)
InChIKeyYEHBQMDWYMZUEX-UHFFFAOYSA-N
XLogP0.89
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile (CID 122478869) is 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile is CCc1nc(-c2n[nH]nc2C#N)co1.
What is the InChIKey of 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
The InChIKey is YEHBQMDWYMZUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c1-2-7-10-6(4-14-7)8-5(3-9)11-13-12-8/h4H,2H2,1H3,(H,11,12,13).
What are the key properties of 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile has a molecular weight of 189.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122478869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).