ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate

C10H9NO4 — CID 75511450

IUPACethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1-c1ccoc1
InChIInChI=1S/C10H9NO4/c1-2-14-10(12)8-5-11-15-9(8)7-3-4-13-6-7/h3-6H,2H2,1H3
InChIKeySITXDQDECAISCE-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.11
Rot. Bonds3

About ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate

ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate (PubChem CID 75511450) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate
PubChem CID75511450
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Nameethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1-c1ccoc1
InChIInChI=1S/C10H9NO4/c1-2-14-10(12)8-5-11-15-9(8)7-3-4-13-6-7/h3-6H,2H2,1H3
InChIKeySITXDQDECAISCE-UHFFFAOYSA-N
XLogP2.11
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate (CID 75511450) is ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1cnoc1-c1ccoc1.
What is the InChIKey of ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is SITXDQDECAISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-2-14-10(12)8-5-11-15-9(8)7-3-4-13-6-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate?
ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-3-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 75511450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).