ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate

C14H13ClFNO3 — CID 122477377

IUPACethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)c(Cl)c2)oc1CC
InChIInChI=1S/C14H13ClFNO3/c1-3-11-12(14(18)19-4-2)17-13(20-11)8-5-6-10(16)9(15)7-8/h5-7H,3-4H2,1-2H3
InChIKeyYEKVMKBUOLNPQW-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.87
Rot. Bonds4

About ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate

ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate (PubChem CID 122477377) has the molecular formula C14H13ClFNO3 and a molecular weight of 297.71 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate
PubChem CID122477377
Molecular FormulaC14H13ClFNO3
Molecular Weight297.71 g/mol
Exact Mass297.06
IUPAC Nameethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)c(Cl)c2)oc1CC
InChIInChI=1S/C14H13ClFNO3/c1-3-11-12(14(18)19-4-2)17-13(20-11)8-5-6-10(16)9(15)7-8/h5-7H,3-4H2,1-2H3
InChIKeyYEKVMKBUOLNPQW-UHFFFAOYSA-N
XLogP3.87
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate (CID 122477377) is ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(F)c(Cl)c2)oc1CC.
What is the InChIKey of ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate?
The InChIKey is YEKVMKBUOLNPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3/c1-3-11-12(14(18)19-4-2)17-13(20-11)8-5-6-10(16)9(15)7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate?
ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate has a molecular weight of 297.71 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-fluorophenyl)-5-ethyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 122477377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).