4-(methoxymethyl)-1,2-oxazol-2-ium

C5H8NO2+ — CID 173063049

IUPAC4-(methoxymethyl)-1,2-oxazol-2-ium
SMILESCOCc1c[nH+]oc1
InChIInChI=1S/C5H7NO2/c1-7-3-5-2-6-8-4-5/h2,4H,3H2,1H3/p+1
InChIKeyRXBWSPDZPJIEHL-UHFFFAOYSA-O
MW114.12 g/mol
LogP0.24
Rot. Bonds2

About 4-(methoxymethyl)-1,2-oxazol-2-ium

4-(methoxymethyl)-1,2-oxazol-2-ium (PubChem CID 173063049) has the molecular formula C5H8NO2+ and a molecular weight of 114.12 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,2-oxazol-2-ium.

Molecular Properties

Compound Name4-(methoxymethyl)-1,2-oxazol-2-ium
PubChem CID173063049
Molecular FormulaC5H8NO2+
Molecular Weight114.12 g/mol
Exact Mass114.05
IUPAC Name4-(methoxymethyl)-1,2-oxazol-2-ium
SMILESCOCc1c[nH+]oc1
InChIInChI=1S/C5H7NO2/c1-7-3-5-2-6-8-4-5/h2,4H,3H2,1H3/p+1
InChIKeyRXBWSPDZPJIEHL-UHFFFAOYSA-O
XLogP0.24
TPSA36.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,2-oxazol-2-ium?
The IUPAC name of 4-(methoxymethyl)-1,2-oxazol-2-ium (CID 173063049) is 4-(methoxymethyl)-1,2-oxazol-2-ium.
What is the SMILES notation for 4-(methoxymethyl)-1,2-oxazol-2-ium?
The canonical SMILES for 4-(methoxymethyl)-1,2-oxazol-2-ium is COCc1c[nH+]oc1.
What is the InChIKey of 4-(methoxymethyl)-1,2-oxazol-2-ium?
The InChIKey is RXBWSPDZPJIEHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7NO2/c1-7-3-5-2-6-8-4-5/h2,4H,3H2,1H3/p+1.
What are the key properties of 4-(methoxymethyl)-1,2-oxazol-2-ium?
4-(methoxymethyl)-1,2-oxazol-2-ium has a molecular weight of 114.12 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,2-oxazol-2-ium is sourced from PubChem (CID 173063049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).