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

C17H13FN2O5 — CID 66644394

IUPAC5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1
InChIInChI=1S/C17H13FN2O5/c18-11-3-1-10(2-4-11)16-13(15(8-21)25-20-16)9-24-12-5-6-14(17(22)23)19-7-12/h1-7,21H,8-9H2,(H,22,23)
InChIKeyIJEHUJMGFRTOOW-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.65
Rot. Bonds6

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

5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid (PubChem CID 66644394) has the molecular formula C17H13FN2O5 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid
PubChem CID66644394
Molecular FormulaC17H13FN2O5
Molecular Weight344.30 g/mol
Exact Mass344.08
IUPAC Name5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1
InChIInChI=1S/C17H13FN2O5/c18-11-3-1-10(2-4-11)16-13(15(8-21)25-20-16)9-24-12-5-6-14(17(22)23)19-7-12/h1-7,21H,8-9H2,(H,22,23)
InChIKeyIJEHUJMGFRTOOW-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

3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
CID 842092
trans-(1S,3S)-3-[[6-[3-methyl-4-[(2-phenylethylsulfonylamino)methyl]-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 142610742
trans-(1S,3S)-3-[[6-[4-[[(3,5-difluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 150134920
trans-(1S,3S)-3-[[6-[4-[[(4-fluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 152069844
trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155009485
trans-(1S,3S)-3-[[6-[4-[[(3-fluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155153676
trans-(1S,3S)-3-[[6-[4-[[butyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155180705
3-[4-[[2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127046667
CYP11B1 Inhibitor C25
CID 132585204
4-[4-(5-Methoxy-pyridin-2-yl)-phenoxymethyl]-5-methyl-furan-2-carboxylic acid
CID 18444556
4-(4-Chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 118536059
6-(5-Methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinic acid
CID 42630170

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid (CID 66644394) is 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid is O=C(O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is IJEHUJMGFRTOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5/c18-11-3-1-10(2-4-11)16-13(15(8-21)25-20-16)9-24-12-5-6-14(17(22)23)19-7-12/h1-7,21H,8-9H2,(H,22,23).
What are the key properties of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-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 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 66644394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).