2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid

C17H14FNO4 — CID 21427478

IUPAC2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid
SMILESCC1C(c2ccc(F)cc2)=NOC1(O)c1ccccc1C(=O)O
InChIInChI=1S/C17H14FNO4/c1-10-15(11-6-8-12(18)9-7-11)19-23-17(10,22)14-5-3-2-4-13(14)16(20)21/h2-10,22H,1H3,(H,20,21)
InChIKeyHWBPEWIKXMXPAS-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.74
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid

2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid (PubChem CID 21427478) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid
PubChem CID21427478
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid
SMILESCC1C(c2ccc(F)cc2)=NOC1(O)c1ccccc1C(=O)O
InChIInChI=1S/C17H14FNO4/c1-10-15(11-6-8-12(18)9-7-11)19-23-17(10,22)14-5-3-2-4-13(14)16(20)21/h2-10,22H,1H3,(H,20,21)
InChIKeyHWBPEWIKXMXPAS-UHFFFAOYSA-N
XLogP2.74
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid (CID 21427478) is 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid is CC1C(c2ccc(F)cc2)=NOC1(O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid?
The InChIKey is HWBPEWIKXMXPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-10-15(11-6-8-12(18)9-7-11)19-23-17(10,22)14-5-3-2-4-13(14)16(20)21/h2-10,22H,1H3,(H,20,21).
What are the key properties of 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid?
2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid has a molecular weight of 315.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-hydroxy-4-methyl-4H-1,2-oxazol-5-yl]benzoic acid is sourced from PubChem (CID 21427478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).