3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid

C15H12FN3O4 — CID 143812912

IUPAC3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cn2)C=CC=NC1OCc1cnoc1
InChIInChI=1S/C15H12FN3O4/c16-11-2-3-12(18-7-11)15(14(20)21)4-1-5-17-13(15)22-8-10-6-19-23-9-10/h1-7,9,13H,8H2,(H,20,21)
InChIKeyPYZYISOTLGABQL-UHFFFAOYSA-N
MW317.28 g/mol
LogP1.71
Rot. Bonds5

About 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid

3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid (PubChem CID 143812912) has the molecular formula C15H12FN3O4 and a molecular weight of 317.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid
PubChem CID143812912
Molecular FormulaC15H12FN3O4
Molecular Weight317.28 g/mol
Exact Mass317.08
IUPAC Name3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cn2)C=CC=NC1OCc1cnoc1
InChIInChI=1S/C15H12FN3O4/c16-11-2-3-12(18-7-11)15(14(20)21)4-1-5-17-13(15)22-8-10-6-19-23-9-10/h1-7,9,13H,8H2,(H,20,21)
InChIKeyPYZYISOTLGABQL-UHFFFAOYSA-N
XLogP1.71
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
CID 61223878
methyl 2-[2-(5-fluoro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91386530
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
CID 61223691
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
4-(cyclopropylmethoxy)-4-(5-fluoro-2-pyridinyl)-1-phenylcyclohexane-1-carboxylic acid
CID 59442570
2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid
CID 79440093
methyl 3-(5-fluoro-2-pyridinyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate
CID 83129352
ethyl 3-ethyl-3-(5-fluoro-2-pyridinyl)oxirane-2-carboxylate
CID 112586733
6-(1,2-oxazol-4-ylmethoxy)-1,3-benzodioxole-5-carboxylic acid
CID 54979334
3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole
CID 143812897

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid (CID 143812912) is 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid is O=C(O)C1(c2ccc(F)cn2)C=CC=NC1OCc1cnoc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid?
The InChIKey is PYZYISOTLGABQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4/c16-11-2-3-12(18-7-11)15(14(20)21)4-1-5-17-13(15)22-8-10-6-19-23-9-10/h1-7,9,13H,8H2,(H,20,21).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid?
3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid has a molecular weight of 317.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-2-(1,2-oxazol-4-ylmethoxy)-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 143812912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).