2-(5-methyl-1,3-oxazol-4-yl)acetonitrile

C6H6N2O — CID 18982958

IUPAC2-(5-methyl-1,3-oxazol-4-yl)acetonitrile
SMILESCc1ocnc1CC#N
InChIInChI=1S/C6H6N2O/c1-5-6(2-3-7)8-4-9-5/h4H,2H2,1H3
InChIKeyLSDVSDGGDKPHFW-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.05
Rot. Bonds1

About 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile

2-(5-methyl-1,3-oxazol-4-yl)acetonitrile (PubChem CID 18982958) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methyl-1,3-oxazol-4-yl)acetonitrile
PubChem CID18982958
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-(5-methyl-1,3-oxazol-4-yl)acetonitrile
SMILESCc1ocnc1CC#N
InChIInChI=1S/C6H6N2O/c1-5-6(2-3-7)8-4-9-5/h4H,2H2,1H3
InChIKeyLSDVSDGGDKPHFW-UHFFFAOYSA-N
XLogP1.05
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile?
The IUPAC name of 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile (CID 18982958) is 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile?
The canonical SMILES for 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile is Cc1ocnc1CC#N.
What is the InChIKey of 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile?
The InChIKey is LSDVSDGGDKPHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-5-6(2-3-7)8-4-9-5/h4H,2H2,1H3.
What are the key properties of 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile?
2-(5-methyl-1,3-oxazol-4-yl)acetonitrile has a molecular weight of 122.13 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-oxazol-4-yl)acetonitrile is sourced from PubChem (CID 18982958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).