methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate

C11H13NO5 — CID 10728678

IUPACmethyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate
SMILESC=CCOC(=O)Cc1oc(C)nc1C(=O)OC
InChIInChI=1S/C11H13NO5/c1-4-5-16-9(13)6-8-10(11(14)15-3)12-7(2)17-8/h4H,1,5-6H2,2-3H3
InChIKeyXFVNYGPZCYSMCT-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.04
Rot. Bonds5

About methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate

methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate (PubChem CID 10728678) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate
PubChem CID10728678
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate
SMILESC=CCOC(=O)Cc1oc(C)nc1C(=O)OC
InChIInChI=1S/C11H13NO5/c1-4-5-16-9(13)6-8-10(11(14)15-3)12-7(2)17-8/h4H,1,5-6H2,2-3H3
InChIKeyXFVNYGPZCYSMCT-UHFFFAOYSA-N
XLogP1.04
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate (CID 10728678) is methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate is C=CCOC(=O)Cc1oc(C)nc1C(=O)OC.
What is the InChIKey of methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is XFVNYGPZCYSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-4-5-16-9(13)6-8-10(11(14)15-3)12-7(2)17-8/h4H,1,5-6H2,2-3H3.
What are the key properties of methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate?
methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 239.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(2-oxo-2-prop-2-enoxyethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10728678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).