methyl 5H-1,2-oxazole-2-carboxylate

C5H7NO3 — CID 67613581

IUPACmethyl 5H-1,2-oxazole-2-carboxylate
SMILESCOC(=O)N1C=CCO1
InChIInChI=1S/C5H7NO3/c1-8-5(7)6-3-2-4-9-6/h2-3H,4H2,1H3
InChIKeyBAGDAEDDEYGWSA-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.51
Rot. Bonds

About methyl 5H-1,2-oxazole-2-carboxylate

methyl 5H-1,2-oxazole-2-carboxylate (PubChem CID 67613581) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is methyl 5H-1,2-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5H-1,2-oxazole-2-carboxylate
PubChem CID67613581
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Namemethyl 5H-1,2-oxazole-2-carboxylate
SMILESCOC(=O)N1C=CCO1
InChIInChI=1S/C5H7NO3/c1-8-5(7)6-3-2-4-9-6/h2-3H,4H2,1H3
InChIKeyBAGDAEDDEYGWSA-UHFFFAOYSA-N
XLogP0.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5H-1,2-oxazole-2-carboxylate?
The IUPAC name of methyl 5H-1,2-oxazole-2-carboxylate (CID 67613581) is methyl 5H-1,2-oxazole-2-carboxylate.
What is the SMILES notation for methyl 5H-1,2-oxazole-2-carboxylate?
The canonical SMILES for methyl 5H-1,2-oxazole-2-carboxylate is COC(=O)N1C=CCO1.
What is the InChIKey of methyl 5H-1,2-oxazole-2-carboxylate?
The InChIKey is BAGDAEDDEYGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-8-5(7)6-3-2-4-9-6/h2-3H,4H2,1H3.
What are the key properties of methyl 5H-1,2-oxazole-2-carboxylate?
methyl 5H-1,2-oxazole-2-carboxylate has a molecular weight of 129.11 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5H-1,2-oxazole-2-carboxylate is sourced from PubChem (CID 67613581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).