5-(methoxymethyl)-1,2-oxazole-3-carbonitrile

C6H6N2O2 — CID 66157988

IUPAC5-(methoxymethyl)-1,2-oxazole-3-carbonitrile
SMILESCOCc1cc(C#N)no1
InChIInChI=1S/C6H6N2O2/c1-9-4-6-2-5(3-7)8-10-6/h2H,4H2,1H3
InChIKeyVBDPPMZFYTWIOZ-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.69
Rot. Bonds2

About 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile

5-(methoxymethyl)-1,2-oxazole-3-carbonitrile (PubChem CID 66157988) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2-oxazole-3-carbonitrile
PubChem CID66157988
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5-(methoxymethyl)-1,2-oxazole-3-carbonitrile
SMILESCOCc1cc(C#N)no1
InChIInChI=1S/C6H6N2O2/c1-9-4-6-2-5(3-7)8-10-6/h2H,4H2,1H3
InChIKeyVBDPPMZFYTWIOZ-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile (CID 66157988) is 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile is COCc1cc(C#N)no1.
What is the InChIKey of 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile?
The InChIKey is VBDPPMZFYTWIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-9-4-6-2-5(3-7)8-10-6/h2H,4H2,1H3.
What are the key properties of 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile?
5-(methoxymethyl)-1,2-oxazole-3-carbonitrile has a molecular weight of 138.13 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 66157988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).