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

C9H7N5O3 — CID 82390172

IUPAC4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2cc(-c3nonc3C(=O)O)nc2[nH]1
InChIInChI=1S/C9H7N5O3/c1-4-2-14-3-5(11-9(14)10-4)6-7(8(15)16)13-17-12-6/h2-3H,1H3,(H,10,11)(H,15,16)
InChIKeyKBFRLJSAFNUBDD-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.72
Rot. Bonds2

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

4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 82390172) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID82390172
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Name4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2cc(-c3nonc3C(=O)O)nc2[nH]1
InChIInChI=1S/C9H7N5O3/c1-4-2-14-3-5(11-9(14)10-4)6-7(8(15)16)13-17-12-6/h2-3H,1H3,(H,10,11)(H,15,16)
InChIKeyKBFRLJSAFNUBDD-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

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Related Compounds

4-(1H-imidazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 55279302
3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373646
4-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382857
4-(3-Methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382858
4-(2,7-Dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82384111
4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82384112
5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid
CID 82384113
5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
CID 82384674
5-methyl-2-(5-methyl-1,2-oxazol-4-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
CID 82384675
2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
CID 82384678
4-Imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid
CID 82389289
4-(7-Methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82390173

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (CID 82390172) is 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is Cc1cn2cc(-c3nonc3C(=O)O)nc2[nH]1.
What is the InChIKey of 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is KBFRLJSAFNUBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c1-4-2-14-3-5(11-9(14)10-4)6-7(8(15)16)13-17-12-6/h2-3H,1H3,(H,10,11)(H,15,16).
What are the key properties of 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-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 4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82390172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).