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

C11H11N3O5 — CID 85248329

IUPACmethyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESC=CCOC(=O)C(=[N+]=[N-])c1oc(C)nc1C(=O)OC
InChIInChI=1S/C11H11N3O5/c1-4-5-18-11(16)8(14-12)9-7(10(15)17-3)13-6(2)19-9/h4H,1,5H2,2-3H3
InChIKeyGWOKOTDDRDJJTI-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.52
Rot. Bonds5

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

methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 85248329) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID85248329
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Namemethyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESC=CCOC(=O)C(=[N+]=[N-])c1oc(C)nc1C(=O)OC
InChIInChI=1S/C11H11N3O5/c1-4-5-18-11(16)8(14-12)9-7(10(15)17-3)13-6(2)19-9/h4H,1,5H2,2-3H3
InChIKeyGWOKOTDDRDJJTI-UHFFFAOYSA-N
XLogP0.52
TPSA115.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate (CID 85248329) is methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate is C=CCOC(=O)C(=[N+]=[N-])c1oc(C)nc1C(=O)OC.
What is the InChIKey of methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is GWOKOTDDRDJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-4-5-18-11(16)8(14-12)9-7(10(15)17-3)13-6(2)19-9/h4H,1,5H2,2-3H3.
What are the key properties of methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate?
methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 265.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-diazo-2-oxo-2-prop-2-enoxyethyl)-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 85248329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).