ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate

C12H12ClNO4 — CID 135000709

IUPACethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(O)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C12H12ClNO4/c1-2-17-11(15)12(16)7-10(14-18-12)8-3-5-9(13)6-4-8/h3-6,16H,2,7H2,1H3
InChIKeyYWPNAXDRHSFZFH-UHFFFAOYSA-N
MW269.68 g/mol
LogP1.72
Rot. Bonds3

About ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate

ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate (PubChem CID 135000709) has the molecular formula C12H12ClNO4 and a molecular weight of 269.68 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate
PubChem CID135000709
Molecular FormulaC12H12ClNO4
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Nameethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(O)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C12H12ClNO4/c1-2-17-11(15)12(16)7-10(14-18-12)8-3-5-9(13)6-4-8/h3-6,16H,2,7H2,1H3
InChIKeyYWPNAXDRHSFZFH-UHFFFAOYSA-N
XLogP1.72
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate (CID 135000709) is ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(O)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate?
The InChIKey is YWPNAXDRHSFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4/c1-2-17-11(15)12(16)7-10(14-18-12)8-3-5-9(13)6-4-8/h3-6,16H,2,7H2,1H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate?
ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate has a molecular weight of 269.68 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-5-hydroxy-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 135000709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).