2-(1,3-oxazol-2-yl)acetonitrile

C5H4N2O — CID 20562996

IUPAC2-(1,3-oxazol-2-yl)acetonitrile
SMILESN#CCc1ncco1
InChIInChI=1S/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
InChIKeyGBVNLARDRLKRNJ-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.74
Rot. Bonds1

About 2-(1,3-oxazol-2-yl)acetonitrile

2-(1,3-oxazol-2-yl)acetonitrile (PubChem CID 20562996) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)acetonitrile
PubChem CID20562996
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Name2-(1,3-oxazol-2-yl)acetonitrile
SMILESN#CCc1ncco1
InChIInChI=1S/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
InChIKeyGBVNLARDRLKRNJ-UHFFFAOYSA-N
XLogP0.74
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)acetonitrile?
The IUPAC name of 2-(1,3-oxazol-2-yl)acetonitrile (CID 20562996) is 2-(1,3-oxazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)acetonitrile?
The canonical SMILES for 2-(1,3-oxazol-2-yl)acetonitrile is N#CCc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)acetonitrile?
The InChIKey is GBVNLARDRLKRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2.
What are the key properties of 2-(1,3-oxazol-2-yl)acetonitrile?
2-(1,3-oxazol-2-yl)acetonitrile has a molecular weight of 108.10 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)acetonitrile is sourced from PubChem (CID 20562996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).