5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid

C9H7N3O3 — CID 67157819

IUPAC5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccncn2)c1C(=O)O
InChIInChI=1S/C9H7N3O3/c1-5-7(9(13)14)8(12-15-5)6-2-3-10-4-11-6/h2-4H,1H3,(H,13,14)
InChIKeyNUSOJBUCSOYJLB-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.14
Rot. Bonds2

About 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid

5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 67157819) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid
PubChem CID67157819
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccncn2)c1C(=O)O
InChIInChI=1S/C9H7N3O3/c1-5-7(9(13)14)8(12-15-5)6-2-3-10-4-11-6/h2-4H,1H3,(H,13,14)
InChIKeyNUSOJBUCSOYJLB-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

5-Methyl-3-(pyridin-4-yl)-1,2-oxazole-4-carboxylic acid
CID 656040
5-Methyl-3-(pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 3146138
5-(4-Cyclopropyl-2-methoxypyrimidin-5-yl)-3-methyl-1,2-oxazole
CID 178320124
3-(3-Fluoropyridin-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 22170132
3-(3-Fluoro-2-pyridyl)-5-methylisoxazole-4-carboxylic Acid
CID 22170164
3-(5-Fluoro-2-pyridyl)-5-methylisoxazole-4-carboxylic Acid
CID 117770962
3-Pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 150237259
3-Methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole
CID 101455365
5-(Difluoromethyl)-3-(pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 165455831
5-(difluoromethyl)-3-(1-methyl-1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
CID 165832458
5-Methyl-3-[2-(trifluoromethyl)-5-pyrimidinyl]isoxazole-4-carboxylic Acid
CID 168482298
5-Methyl-3-[5-(trifluoromethyl)-2-pyridyl]isoxazole-4-carboxylic Acid
CID 168482453

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid (CID 67157819) is 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2ccncn2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is NUSOJBUCSOYJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-5-7(9(13)14)8(12-15-5)6-2-3-10-4-11-6/h2-4H,1H3,(H,13,14).
What are the key properties of 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid?
5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-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 5-methyl-3-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 67157819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).