4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol

C10H17NO4 — CID 161114865

IUPAC4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol
SMILESCOC/C(C)=C/O.COCc1cnoc1
InChIInChI=1S/C5H7NO2.C5H10O2/c1-7-3-5-2-6-8-4-5;1-5(3-6)4-7-2/h2,4H,3H2,1H3;3,6H,4H2,1-2H3/b;5-3+
InChIKeyUKEHNSIXFZHPAT-GWDXERMASA-N
MW215.25 g/mol
LogP1.92
Rot. Bonds4

About 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol

4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol (PubChem CID 161114865) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol.

Molecular Properties

Compound Name4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol
PubChem CID161114865
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol
SMILESCOC/C(C)=C/O.COCc1cnoc1
InChIInChI=1S/C5H7NO2.C5H10O2/c1-7-3-5-2-6-8-4-5;1-5(3-6)4-7-2/h2,4H,3H2,1H3;3,6H,4H2,1-2H3/b;5-3+
InChIKeyUKEHNSIXFZHPAT-GWDXERMASA-N
XLogP1.92
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol?
The IUPAC name of 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol (CID 161114865) is 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol.
What is the SMILES notation for 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol?
The canonical SMILES for 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol is COC/C(C)=C/O.COCc1cnoc1.
What is the InChIKey of 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol?
The InChIKey is UKEHNSIXFZHPAT-GWDXERMASA-N. The full InChI is InChI=1S/C5H7NO2.C5H10O2/c1-7-3-5-2-6-8-4-5;1-5(3-6)4-7-2/h2,4H,3H2,1H3;3,6H,4H2,1-2H3/b;5-3+.
What are the key properties of 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol?
4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol has a molecular weight of 215.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,2-oxazole;(E)-3-methoxy-2-methylprop-1-en-1-ol is sourced from PubChem (CID 161114865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).