5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate

C16H10FNO4 — CID 87966329

IUPAC5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate
SMILESO=C([O-])C1=CC(c2ccccc2)(c2ccc(F)cc2)O[N+]1=O
InChIInChI=1S/C16H10FNO4/c17-13-8-6-12(7-9-13)16(11-4-2-1-3-5-11)10-14(15(19)20)18(21)22-16/h1-10H
InChIKeyTZGUQVJTQOMERC-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.43
Rot. Bonds3

About 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate

5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate (PubChem CID 87966329) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate
PubChem CID87966329
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate
SMILESO=C([O-])C1=CC(c2ccccc2)(c2ccc(F)cc2)O[N+]1=O
InChIInChI=1S/C16H10FNO4/c17-13-8-6-12(7-9-13)16(11-4-2-1-3-5-11)10-14(15(19)20)18(21)22-16/h1-10H
InChIKeyTZGUQVJTQOMERC-UHFFFAOYSA-N
XLogP1.43
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate?
The IUPAC name of 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate (CID 87966329) is 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate.
What is the SMILES notation for 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate?
The canonical SMILES for 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate is O=C([O-])C1=CC(c2ccccc2)(c2ccc(F)cc2)O[N+]1=O.
What is the InChIKey of 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate?
The InChIKey is TZGUQVJTQOMERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-13-8-6-12(7-9-13)16(11-4-2-1-3-5-11)10-14(15(19)20)18(21)22-16/h1-10H.
What are the key properties of 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate?
5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate has a molecular weight of 299.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate is sourced from PubChem (CID 87966329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).