ethyl 2H-1,3-oxazole-3-carboxylate

C6H9NO3 — CID 140984935

IUPACethyl 2H-1,3-oxazole-3-carboxylate
SMILESCCOC(=O)N1C=COC1
InChIInChI=1S/C6H9NO3/c1-2-10-6(8)7-3-4-9-5-7/h3-4H,2,5H2,1H3
InChIKeyHLHFCPGBWMFHIT-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.90
Rot. Bonds1

About ethyl 2H-1,3-oxazole-3-carboxylate

ethyl 2H-1,3-oxazole-3-carboxylate (PubChem CID 140984935) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethyl 2H-1,3-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2H-1,3-oxazole-3-carboxylate
PubChem CID140984935
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethyl 2H-1,3-oxazole-3-carboxylate
SMILESCCOC(=O)N1C=COC1
InChIInChI=1S/C6H9NO3/c1-2-10-6(8)7-3-4-9-5-7/h3-4H,2,5H2,1H3
InChIKeyHLHFCPGBWMFHIT-UHFFFAOYSA-N
XLogP0.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-1,3-oxazole-3-carboxylate?
The IUPAC name of ethyl 2H-1,3-oxazole-3-carboxylate (CID 140984935) is ethyl 2H-1,3-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 2H-1,3-oxazole-3-carboxylate?
The canonical SMILES for ethyl 2H-1,3-oxazole-3-carboxylate is CCOC(=O)N1C=COC1.
What is the InChIKey of ethyl 2H-1,3-oxazole-3-carboxylate?
The InChIKey is HLHFCPGBWMFHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-10-6(8)7-3-4-9-5-7/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2H-1,3-oxazole-3-carboxylate?
ethyl 2H-1,3-oxazole-3-carboxylate has a molecular weight of 143.14 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-1,3-oxazole-3-carboxylate is sourced from PubChem (CID 140984935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).