ethyl 1,3-oxazole-4-carboxylate

C6H7NO3 — CID 2763217

IUPACethyl 1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1cocn1
InChIInChI=1S/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3
InChIKeyUBESIXFCSFYQNK-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.85
Rot. Bonds2

About ethyl 1,3-oxazole-4-carboxylate

ethyl 1,3-oxazole-4-carboxylate (PubChem CID 2763217) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is ethyl 1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-oxazole-4-carboxylate
PubChem CID2763217
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Nameethyl 1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1cocn1
InChIInChI=1S/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3
InChIKeyUBESIXFCSFYQNK-UHFFFAOYSA-N
XLogP0.85
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 1,3-oxazole-4-carboxylate (CID 2763217) is ethyl 1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 1,3-oxazole-4-carboxylate is CCOC(=O)c1cocn1.
What is the InChIKey of ethyl 1,3-oxazole-4-carboxylate?
The InChIKey is UBESIXFCSFYQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 1,3-oxazole-4-carboxylate?
ethyl 1,3-oxazole-4-carboxylate has a molecular weight of 141.13 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-oxazole-4-carboxylate is sourced from PubChem (CID 2763217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).