3-(methoxymethyl)-1,2-oxazole

C5H7NO2 — CID 23080901

IUPAC3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1ccon1
InChIInChI=1S/C5H7NO2/c1-7-4-5-2-3-8-6-5/h2-3H,4H2,1H3
InChIKeyLALOXWWHWXJFAM-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.82
Rot. Bonds2

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

3-(methoxymethyl)-1,2-oxazole (PubChem CID 23080901) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2-oxazole
PubChem CID23080901
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1ccon1
InChIInChI=1S/C5H7NO2/c1-7-4-5-2-3-8-6-5/h2-3H,4H2,1H3
InChIKeyLALOXWWHWXJFAM-UHFFFAOYSA-N
XLogP0.82
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(methoxymethyl)-1,2-oxazole (CID 23080901) is 3-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(methoxymethyl)-1,2-oxazole is COCc1ccon1.
What is the InChIKey of 3-(methoxymethyl)-1,2-oxazole?
The InChIKey is LALOXWWHWXJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-7-4-5-2-3-8-6-5/h2-3H,4H2,1H3.
What are the key properties of 3-(methoxymethyl)-1,2-oxazole?
3-(methoxymethyl)-1,2-oxazole has a molecular weight of 113.12 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 23080901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).