3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid

C10H7FN2O3 — CID 22170132

IUPAC3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccncc2F)c1C(=O)O
InChIInChI=1S/C10H7FN2O3/c1-5-8(10(14)15)9(13-16-5)6-2-3-12-4-7(6)11/h2-4H,1H3,(H,14,15)
InChIKeyFGXKEVQVQAOFLG-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.88
Rot. Bonds2

About 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 22170132) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID22170132
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccncc2F)c1C(=O)O
InChIInChI=1S/C10H7FN2O3/c1-5-8(10(14)15)9(13-16-5)6-2-3-12-4-7(6)11/h2-4H,1H3,(H,14,15)
InChIKeyFGXKEVQVQAOFLG-UHFFFAOYSA-N
XLogP1.88
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579326
5-Methyl-3-(pyridin-4-yl)-1,2-oxazole-4-carboxylic acid
CID 656040
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]({[(1E)-1-(pyridin-4-yl)ethylidene]amino}oxy)methanone
CID 5446268
5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
CID 205822
5-Methyl-3-(pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 3146138
5-(Pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 22309070
5-(Pyridin-3-yl)-1,2-oxazole-4-carboxylic acid
CID 22309072
3-(4-Pyridinyl)-5-isoxazolecarboxylic acid
CID 28948669
(3S*,4S*)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70747430
3-{[2-(3,5-Dimethyl-1,2-oxazol-4-YL)pyrrolidin-1-YL]methyl}pyridine
CID 53009612
4-(5-Butyl-1,2-oxazol-3-yl)pyridine
CID 91710001
N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 16677391

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 22170132) is 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2ccncc2F)c1C(=O)O.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is FGXKEVQVQAOFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-5-8(10(14)15)9(13-16-5)6-2-3-12-4-7(6)11/h2-4H,1H3,(H,14,15).
What are the key properties of 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 22170132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).