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

C10H8N2O3 — CID 127020386

IUPAC3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cnccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C10H8N2O3/c1-6-5-11-3-2-7(6)8-4-9(10(13)14)15-12-8/h2-5H,1H3,(H,13,14)
InChIKeyOFBLKKJPRLDNDV-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds2

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

3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 127020386) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
PubChem CID127020386
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cnccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C10H8N2O3/c1-6-5-11-3-2-7(6)8-4-9(10(13)14)15-12-8/h2-5H,1H3,(H,13,14)
InChIKeyOFBLKKJPRLDNDV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117333924
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370049
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
3-isoquinolin-4-yl-1,2-oxazole-5-carboxylic acid
CID 104504438
3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 115527351
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
3-(2-fluoro-4-methyl-5-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421259

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid (CID 127020386) is 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid is Cc1cnccc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OFBLKKJPRLDNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-5-11-3-2-7(6)8-4-9(10(13)14)15-12-8/h2-5H,1H3,(H,13,14).
What are the key properties of 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid?
3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-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 3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 127020386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).