ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate

C6H9NO3 — CID 57140746

IUPACethyl 2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CCON1
InChIInChI=1S/C6H9NO3/c1-2-9-6(8)5-3-4-10-7-5/h3,7H,2,4H2,1H3
InChIKeyPLMHLPUYKMCHPB-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.03
Rot. Bonds2

About ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 57140746) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID57140746
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethyl 2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CCON1
InChIInChI=1S/C6H9NO3/c1-2-9-6(8)5-3-4-10-7-5/h3,7H,2,4H2,1H3
InChIKeyPLMHLPUYKMCHPB-UHFFFAOYSA-N
XLogP-0.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate (CID 57140746) is ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=CCON1.
What is the InChIKey of ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is PLMHLPUYKMCHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-9-6(8)5-3-4-10-7-5/h3,7H,2,4H2,1H3.
What are the key properties of ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57140746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).