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

C11H10N2O3 — CID 118608534

IUPAC4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1cc(-c2nc(C)c(C(=O)O)o2)ccn1
InChIInChI=1S/C11H10N2O3/c1-6-5-8(3-4-12-6)10-13-7(2)9(16-10)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyIRALORQBDQILNQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.05
Rot. Bonds2

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

4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 118608534) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid
PubChem CID118608534
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1cc(-c2nc(C)c(C(=O)O)o2)ccn1
InChIInChI=1S/C11H10N2O3/c1-6-5-8(3-4-12-6)10-13-7(2)9(16-10)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyIRALORQBDQILNQ-UHFFFAOYSA-N
XLogP2.05
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxamide
CID 175779543
2-(4-cyanophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 58610248
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazole-5-carboxylic acid
CID 59457455
3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 69183844
4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid
CID 175214662
4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103123488
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid
CID 136886171
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid (CID 118608534) is 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid is Cc1cc(-c2nc(C)c(C(=O)O)o2)ccn1.
What is the InChIKey of 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is IRALORQBDQILNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-5-8(3-4-12-6)10-13-7(2)9(16-10)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid?
4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 118608534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).