2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile

C6H6N2O2 — CID 84762526

IUPAC2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile
SMILESCOc1oncc1CC#N
InChIInChI=1S/C6H6N2O2/c1-9-6-5(2-3-7)4-8-10-6/h4H,2H2,1H3
InChIKeyPQEYYJMTGWEJPE-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.75
Rot. Bonds2

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

2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile (PubChem CID 84762526) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile
PubChem CID84762526
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile
SMILESCOc1oncc1CC#N
InChIInChI=1S/C6H6N2O2/c1-9-6-5(2-3-7)4-8-10-6/h4H,2H2,1H3
InChIKeyPQEYYJMTGWEJPE-UHFFFAOYSA-N
XLogP0.75
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile?
The IUPAC name of 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile (CID 84762526) is 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile?
The canonical SMILES for 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile is COc1oncc1CC#N.
What is the InChIKey of 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile?
The InChIKey is PQEYYJMTGWEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-9-6-5(2-3-7)4-8-10-6/h4H,2H2,1H3.
What are the key properties of 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile?
2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile has a molecular weight of 138.13 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile is sourced from PubChem (CID 84762526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).