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

C9H7N5O3 — CID 82378072

IUPAC3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1cn2cc(-c3noc(C(=O)O)n3)nc2[nH]1
InChIInChI=1S/C9H7N5O3/c1-4-2-14-3-5(11-9(14)10-4)6-12-7(8(15)16)17-13-6/h2-3H,1H3,(H,10,11)(H,15,16)
InChIKeyCXSLQLZZESBFRG-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.72
Rot. Bonds2

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

3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 82378072) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID82378072
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Name3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1cn2cc(-c3noc(C(=O)O)n3)nc2[nH]1
InChIInChI=1S/C9H7N5O3/c1-4-2-14-3-5(11-9(14)10-4)6-12-7(8(15)16)17-13-6/h2-3H,1H3,(H,10,11)(H,15,16)
InChIKeyCXSLQLZZESBFRG-UHFFFAOYSA-N
XLogP0.72
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378075
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378064
3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373646
3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378082
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 96590921
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82384112
3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378053
methyl 3-(6-bromo-2-pyridinyl)-1,2,4-oxadiazole-5-carboxylate
CID 58366196

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 82378072) is 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid is Cc1cn2cc(-c3noc(C(=O)O)n3)nc2[nH]1.
What is the InChIKey of 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is CXSLQLZZESBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c1-4-2-14-3-5(11-9(14)10-4)6-12-7(8(15)16)17-13-6/h2-3H,1H3,(H,10,11)(H,15,16).
What are the key properties of 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 233.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 82378072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).