methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate

C8H9NO4 — CID 639217

IUPACmethyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate
SMILESC=CCOc1cc(C(=O)OC)on1
InChIInChI=1S/C8H9NO4/c1-3-4-12-7-5-6(13-9-7)8(10)11-2/h3,5H,1,4H2,2H3
InChIKeyFPWNKJATAPESMD-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.03
Rot. Bonds4

About methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate

methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate (PubChem CID 639217) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate
PubChem CID639217
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Namemethyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate
SMILESC=CCOc1cc(C(=O)OC)on1
InChIInChI=1S/C8H9NO4/c1-3-4-12-7-5-6(13-9-7)8(10)11-2/h3,5H,1,4H2,2H3
InChIKeyFPWNKJATAPESMD-UHFFFAOYSA-N
XLogP1.03
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-1,2-oxazole-5-carboxylic acid
CID 327717
2-[(5-Methyl-1,2-oxazol-3-yl)oxy]acetic acid
CID 4962137
5-Isoxazolecarboxylic acid, 3-hydroxy-, methyl ester, O-ester with O,O-diethylphosphorothioate
CID 205846
3-Ethoxy-1,2-oxazole-5-carboxylic acid
CID 15007418
Methyl 3-prop-2-ynoxy-1,2-oxazole-5-carboxylate
CID 140030818
3-(2,2,2-Trifluoroethoxy)isoxazole-5-carboxylic acid
CID 168168802
5-Isoxazolecarboxylic acid, 3-methoxy-, methyl ester
CID 639214
Methyl 3-(1,1,2,2-tetrafluoroethoxy)-5-isoxazole carboxylate
CID 22262066
3-(2-Fluoroethoxy)isoxazole-5-carboxylic acid
CID 45091216
Methyl 3-(3,3-difluoro-2-hydroxypropoxy)isoxazole-5-carboxylate
CID 67777697
3-(3-Fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid
CID 67778359
Methyl 3-(3-fluoro-2-hydroxypropoxy)isoxazole-5-carboxylate
CID 67778586

Frequently Asked Questions

What is the IUPAC name of methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate (CID 639217) is methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate is C=CCOc1cc(C(=O)OC)on1.
What is the InChIKey of methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate?
The InChIKey is FPWNKJATAPESMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-3-4-12-7-5-6(13-9-7)8(10)11-2/h3,5H,1,4H2,2H3.
What are the key properties of methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate?
methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate has a molecular weight of 183.16 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-prop-2-enoxy-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 639217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).