5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid

C16H12FN3O4 — CID 66644519

IUPAC5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)O)nc1
InChIInChI=1S/C16H12FN3O4/c1-9-12(8-23-11-3-5-14(16(21)22)19-7-11)15(20-24-9)13-4-2-10(17)6-18-13/h2-7H,8H2,1H3,(H,21,22)
InChIKeyDLDKNYJRLBDBTM-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.86
Rot. Bonds5

About 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid

5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid (PubChem CID 66644519) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid
PubChem CID66644519
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC Name5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)O)nc1
InChIInChI=1S/C16H12FN3O4/c1-9-12(8-23-11-3-5-14(16(21)22)19-7-11)15(20-24-9)13-4-2-10(17)6-18-13/h2-7H,8H2,1H3,(H,21,22)
InChIKeyDLDKNYJRLBDBTM-UHFFFAOYSA-N
XLogP2.86
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid (CID 66644519) is 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid is Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is DLDKNYJRLBDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4/c1-9-12(8-23-11-3-5-14(16(21)22)19-7-11)15(20-24-9)13-4-2-10(17)6-18-13/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid?
5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 329.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 66644519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).