ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate

C10H11NO4 — CID 66714071

IUPACethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate
SMILESCCOC(=O)c1onc2c1CCCC2=O
InChIInChI=1S/C10H11NO4/c1-2-14-10(13)9-6-4-3-5-7(12)8(6)11-15-9/h2-5H2,1H3
InChIKeyAYWOFXXNRDGSIJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.37
Rot. Bonds2

About ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate

ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate (PubChem CID 66714071) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate
PubChem CID66714071
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Nameethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate
SMILESCCOC(=O)c1onc2c1CCCC2=O
InChIInChI=1S/C10H11NO4/c1-2-14-10(13)9-6-4-3-5-7(12)8(6)11-15-9/h2-5H2,1H3
InChIKeyAYWOFXXNRDGSIJ-UHFFFAOYSA-N
XLogP1.37
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate?
The IUPAC name of ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate (CID 66714071) is ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate.
What is the SMILES notation for ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate?
The canonical SMILES for ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate is CCOC(=O)c1onc2c1CCCC2=O.
What is the InChIKey of ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate?
The InChIKey is AYWOFXXNRDGSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-14-10(13)9-6-4-3-5-7(12)8(6)11-15-9/h2-5H2,1H3.
What are the key properties of ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate?
ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxylate is sourced from PubChem (CID 66714071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).