3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid

C10H8N4O3 — CID 82373622

IUPAC3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cn3ccnc3[nH]2)noc1C(=O)O
InChIInChI=1S/C10H8N4O3/c1-5-7(13-17-8(5)9(15)16)6-4-14-3-2-11-10(14)12-6/h2-4H,1H3,(H,11,12)(H,15,16)
InChIKeyCRKNNQSWJGHNOF-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.32
Rot. Bonds2

About 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid

3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 82373622) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID82373622
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cn3ccnc3[nH]2)noc1C(=O)O
InChIInChI=1S/C10H8N4O3/c1-5-7(13-17-8(5)9(15)16)6-4-14-3-2-11-10(14)12-6/h2-4H,1H3,(H,11,12)(H,15,16)
InChIKeyCRKNNQSWJGHNOF-UHFFFAOYSA-N
XLogP1.32
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Methyl-1h-imidazol-5-yl)isoxazole-5-carboxylic acid
CID 66118288
3-(3-Propylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 66129534
3-(3-Propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 66132083
3-(1-ethyl-1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 66133379
3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373614
3-Imidazo[2,1-b][1,3]thiazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82373619
3-Imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82373620
3-Imidazo[2,1-b][1,3]thiazol-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82373621
4-methyl-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373623
3-Imidazo[1,2-a]pyridin-2-yl-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82373625
3-Imidazo[1,2-a]pyrimidin-3-yl-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82373629
3-Imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82373632

Frequently Asked Questions

What is the IUPAC name of 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid (CID 82373622) is 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid is Cc1c(-c2cn3ccnc3[nH]2)noc1C(=O)O.
What is the InChIKey of 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is CRKNNQSWJGHNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c1-5-7(13-17-8(5)9(15)16)6-4-14-3-2-11-10(14)12-6/h2-4H,1H3,(H,11,12)(H,15,16).
What are the key properties of 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid?
3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).