3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid

C9H7N3O3 — CID 115527351

IUPAC3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1nccc(-c2cc(C(=O)O)on2)n1
InChIInChI=1S/C9H7N3O3/c1-5-10-3-2-6(11-5)7-4-8(9(13)14)15-12-7/h2-4H,1H3,(H,13,14)
InChIKeyPMXZZODMVGWGAZ-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.14
Rot. Bonds2

About 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid

3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 115527351) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID115527351
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1nccc(-c2cc(C(=O)O)on2)n1
InChIInChI=1S/C9H7N3O3/c1-5-10-3-2-6(11-5)7-4-8(9(13)14)15-12-7/h2-4H,1H3,(H,13,14)
InChIKeyPMXZZODMVGWGAZ-UHFFFAOYSA-N
XLogP1.14
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
CID 127020386
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 113329643
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 100950298
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
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-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117382472
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(4-chloro-2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452106
3-(2-methyl-1,3-benzoxazol-7-yl)-1,2-oxazole-5-carboxylic acid
CID 117361903
3-(3-methyl-4-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375835

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid (CID 115527351) is 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid is Cc1nccc(-c2cc(C(=O)O)on2)n1.
What is the InChIKey of 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is PMXZZODMVGWGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-5-10-3-2-6(11-5)7-4-8(9(13)14)15-12-7/h2-4H,1H3,(H,13,14).
What are the key properties of 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 115527351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).