2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile

C7H8N2O2 — CID 138987656

IUPAC2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile
SMILESCOCc1cc(CC#N)no1
InChIInChI=1S/C7H8N2O2/c1-10-5-7-4-6(2-3-8)9-11-7/h4H,2,5H2,1H3
InChIKeyAOKDSDBOIJLREM-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.89
Rot. Bonds3

About 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile

2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile (PubChem CID 138987656) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile
PubChem CID138987656
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile
SMILESCOCc1cc(CC#N)no1
InChIInChI=1S/C7H8N2O2/c1-10-5-7-4-6(2-3-8)9-11-7/h4H,2,5H2,1H3
InChIKeyAOKDSDBOIJLREM-UHFFFAOYSA-N
XLogP0.89
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile?
The IUPAC name of 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile (CID 138987656) is 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile is COCc1cc(CC#N)no1.
What is the InChIKey of 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile?
The InChIKey is AOKDSDBOIJLREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-10-5-7-4-6(2-3-8)9-11-7/h4H,2,5H2,1H3.
What are the key properties of 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile?
2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile has a molecular weight of 152.15 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile is sourced from PubChem (CID 138987656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).