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

C11H13N3O3 — CID 66161791

IUPAC5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cncn2C(C)C)c1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-6(2)14-5-12-4-8(14)10-9(11(15)16)7(3)17-13-10/h4-6H,1-3H3,(H,15,16)
InChIKeyWMKONMOYJXLVOW-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.13
Rot. Bonds3

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

5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 66161791) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID66161791
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cncn2C(C)C)c1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-6(2)14-5-12-4-8(14)10-9(11(15)16)7(3)17-13-10/h4-6H,1-3H3,(H,15,16)
InChIKeyWMKONMOYJXLVOW-UHFFFAOYSA-N
XLogP2.13
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.13
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-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (CID 66161791) is 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2cncn2C(C)C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is WMKONMOYJXLVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6(2)14-5-12-4-8(14)10-9(11(15)16)7(3)17-13-10/h4-6H,1-3H3,(H,15,16).
What are the key properties of 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 66161791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).