dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate

C13H10FNO5 — CID 15066148

IUPACdimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C13H10FNO5/c1-18-12(16)9-10(7-3-5-8(14)6-4-7)15-20-11(9)13(17)19-2/h3-6H,1-2H3
InChIKeyWIZAXWNAHRFPIF-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.05
Rot. Bonds3

About dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate

dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate (PubChem CID 15066148) has the molecular formula C13H10FNO5 and a molecular weight of 279.22 g/mol. Its IUPAC name is dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate
PubChem CID15066148
Molecular FormulaC13H10FNO5
Molecular Weight279.22 g/mol
Exact Mass279.05
IUPAC Namedimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C13H10FNO5/c1-18-12(16)9-10(7-3-5-8(14)6-4-7)15-20-11(9)13(17)19-2/h3-6H,1-2H3
InChIKeyWIZAXWNAHRFPIF-UHFFFAOYSA-N
XLogP2.05
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate (CID 15066148) is dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate is COC(=O)c1onc(-c2ccc(F)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is WIZAXWNAHRFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO5/c1-18-12(16)9-10(7-3-5-8(14)6-4-7)15-20-11(9)13(17)19-2/h3-6H,1-2H3.
What are the key properties of dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 279.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 15066148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).