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

C10H8N2O3 — CID 131572455

IUPAC5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccncc1-c1oncc1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-2-3-11-4-7(6)9-8(10(13)14)5-12-15-9/h2-5H,1H3,(H,13,14)
InChIKeyOQTKAYIYKUUVOE-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds2

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

5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 131572455) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
PubChem CID131572455
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccncc1-c1oncc1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-2-3-11-4-7(6)9-8(10(13)14)5-12-15-9/h2-5H,1H3,(H,13,14)
InChIKeyOQTKAYIYKUUVOE-UHFFFAOYSA-N
XLogP1.74
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82301029
5-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid
CID 96624809
5-pyrazin-2-yl-1,2-oxazole-4-carboxylic acid
CID 114317839
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 58063079
5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid
CID 66271663
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
4-methyl-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 140683950
5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986177
3-trimethylsilylpyridine-4-carboxylic acid
CID 14673408
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid (CID 131572455) is 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid is Cc1ccncc1-c1oncc1C(=O)O.
What is the InChIKey of 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is OQTKAYIYKUUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-2-3-11-4-7(6)9-8(10(13)14)5-12-15-9/h2-5H,1H3,(H,13,14).
What are the key properties of 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 131572455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).