methyl 2-oxo-1,3-oxazole-3-carboxylate

C5H5NO4 — CID 45090004

IUPACmethyl 2-oxo-1,3-oxazole-3-carboxylate
SMILESCOC(=O)n1ccoc1=O
InChIInChI=1S/C5H5NO4/c1-9-4(7)6-2-3-10-5(6)8/h2-3H,1H3
InChIKeyNKXBNZCOJIRYCD-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.06
Rot. Bonds

About methyl 2-oxo-1,3-oxazole-3-carboxylate

methyl 2-oxo-1,3-oxazole-3-carboxylate (PubChem CID 45090004) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is methyl 2-oxo-1,3-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-oxazole-3-carboxylate
PubChem CID45090004
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Namemethyl 2-oxo-1,3-oxazole-3-carboxylate
SMILESCOC(=O)n1ccoc1=O
InChIInChI=1S/C5H5NO4/c1-9-4(7)6-2-3-10-5(6)8/h2-3H,1H3
InChIKeyNKXBNZCOJIRYCD-UHFFFAOYSA-N
XLogP0.06
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-oxazole-3-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-oxazole-3-carboxylate (CID 45090004) is methyl 2-oxo-1,3-oxazole-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-oxazole-3-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-oxazole-3-carboxylate is COC(=O)n1ccoc1=O.
What is the InChIKey of methyl 2-oxo-1,3-oxazole-3-carboxylate?
The InChIKey is NKXBNZCOJIRYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c1-9-4(7)6-2-3-10-5(6)8/h2-3H,1H3.
What are the key properties of methyl 2-oxo-1,3-oxazole-3-carboxylate?
methyl 2-oxo-1,3-oxazole-3-carboxylate has a molecular weight of 143.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-oxazole-3-carboxylate is sourced from PubChem (CID 45090004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).