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

C9H9N3O3 — CID 66116654

IUPAC5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cncn2C)c1C(=O)O
InChIInChI=1S/C9H9N3O3/c1-5-7(9(13)14)8(11-15-5)6-3-10-4-12(6)2/h3-4H,1-2H3,(H,13,14)
InChIKeyLOJIHNJETOTWMK-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.08
Rot. Bonds2

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

5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 66116654) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID66116654
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cncn2C)c1C(=O)O
InChIInChI=1S/C9H9N3O3/c1-5-7(9(13)14)8(11-15-5)6-3-10-4-12(6)2/h3-4H,1-2H3,(H,13,14)
InChIKeyLOJIHNJETOTWMK-UHFFFAOYSA-N
XLogP1.08
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (CID 66116654) is 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2cncn2C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is LOJIHNJETOTWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-7(9(13)14)8(11-15-5)6-3-10-4-12(6)2/h3-4H,1-2H3,(H,13,14).
What are the key properties of 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 66116654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).