5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid

C16H12FNO3 — CID 54318460

IUPAC5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(c2ccccc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H12FNO3/c17-13-8-6-12(7-9-13)16(11-4-2-1-3-5-11)10-14(15(19)20)18-21-16/h1-9H,10H2,(H,19,20)
InChIKeySPWZWLCUCALHPC-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.93
Rot. Bonds3

About 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid

5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid (PubChem CID 54318460) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid
PubChem CID54318460
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(c2ccccc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H12FNO3/c17-13-8-6-12(7-9-13)16(11-4-2-1-3-5-11)10-14(15(19)20)18-21-16/h1-9H,10H2,(H,19,20)
InChIKeySPWZWLCUCALHPC-UHFFFAOYSA-N
XLogP2.93
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid (CID 54318460) is 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(c2ccccc2)(c2ccc(F)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid?
The InChIKey is SPWZWLCUCALHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-13-8-6-12(7-9-13)16(11-4-2-1-3-5-11)10-14(15(19)20)18-21-16/h1-9H,10H2,(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid?
5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 54318460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).