6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid

C17H13FN2O5 — CID 66718150

IUPAC6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1
InChIInChI=1S/C17H13FN2O5/c18-12-4-1-10(2-5-12)16-13(14(8-21)25-20-16)9-24-15-6-3-11(7-19-15)17(22)23/h1-7,21H,8-9H2,(H,22,23)
InChIKeyKUDMCXHQYXSMAB-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.65
Rot. Bonds6

About 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid

6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid (PubChem CID 66718150) has the molecular formula C17H13FN2O5 and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
PubChem CID66718150
Molecular FormulaC17H13FN2O5
Molecular Weight344.30 g/mol
Exact Mass344.08
IUPAC Name6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1
InChIInChI=1S/C17H13FN2O5/c18-12-4-1-10(2-5-12)16-13(14(8-21)25-20-16)9-24-15-6-3-11(7-19-15)17(22)23/h1-7,21H,8-9H2,(H,22,23)
InChIKeyKUDMCXHQYXSMAB-UHFFFAOYSA-N
XLogP2.65
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629329
n-(2-Hydroxy-1-methyl-ethyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42629454
N-((S)-1-Hydroxymethyl-propyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42629686
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 57520181
6-[3-(2-Fluoro-4-methyl-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 57520477
N-[(2S)-1-hydroxypropan-2-yl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 57521073
3-[4-[[2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127046667
6-[3-(2-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,3,3,3-pentafluoro-propyl)-nicotinamide
CID 42629075
6-[3-(2-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629203
6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide
CID 42629204
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide
CID 42629207
N-Cyclopropylmethyl-6-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinamide
CID 42629208

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid (CID 66718150) is 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid is O=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is KUDMCXHQYXSMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5/c18-12-4-1-10(2-5-12)16-13(14(8-21)25-20-16)9-24-15-6-3-11(7-19-15)17(22)23/h1-7,21H,8-9H2,(H,22,23).
What are the key properties of 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 344.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 66718150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).