3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid

C11H10N4O3 — CID 82373646

IUPAC3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cn2cc(-c3c(C)noc3C(=O)O)nc2[nH]1
InChIInChI=1S/C11H10N4O3/c1-5-3-15-4-7(13-11(15)12-5)8-6(2)14-18-9(8)10(16)17/h3-4H,1-2H3,(H,12,13)(H,16,17)
InChIKeyNNMAMJXBANPEJX-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.63
Rot. Bonds2

About 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid

3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 82373646) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID82373646
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cn2cc(-c3c(C)noc3C(=O)O)nc2[nH]1
InChIInChI=1S/C11H10N4O3/c1-5-3-15-4-7(13-11(15)12-5)8-6(2)14-18-9(8)10(16)17/h3-4H,1-2H3,(H,12,13)(H,16,17)
InChIKeyNNMAMJXBANPEJX-UHFFFAOYSA-N
XLogP1.63
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid (CID 82373646) is 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid is Cc1cn2cc(-c3c(C)noc3C(=O)O)nc2[nH]1.
What is the InChIKey of 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is NNMAMJXBANPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-5-3-15-4-7(13-11(15)12-5)8-6(2)14-18-9(8)10(16)17/h3-4H,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid?
3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).