4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid

C10H9N5O3 — CID 82384111

IUPAC4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2cc(-c3nonc3C(=O)O)n(C)c2n1
InChIInChI=1S/C10H9N5O3/c1-5-3-15-4-6(14(2)10(15)11-5)7-8(9(16)17)13-18-12-7/h3-4H,1-2H3,(H,16,17)
InChIKeySVTLHMTXEXHSJX-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.73
Rot. Bonds2

About 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid

4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 82384111) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID82384111
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2cc(-c3nonc3C(=O)O)n(C)c2n1
InChIInChI=1S/C10H9N5O3/c1-5-3-15-4-6(14(2)10(15)11-5)7-8(9(16)17)13-18-12-7/h3-4H,1-2H3,(H,16,17)
InChIKeySVTLHMTXEXHSJX-UHFFFAOYSA-N
XLogP0.73
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Fluoropropyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid
CID 103115511
5-(3-Methylimidazol-4-yl)-1-(3,3,3-trifluoropropyl)triazole-4-carboxylic acid
CID 103115529
5-(3-Methylimidazol-4-yl)-1-(4,4,4-trifluorobutyl)triazole-4-carboxylic acid
CID 103115587
1-(2,2-Difluoroethyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid
CID 103115599
1-(2-Fluoroethyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid
CID 103115631
5-(3-Methylimidazol-4-yl)-1-(2,2,2-trifluoroethyl)triazole-4-carboxylic acid
CID 113777251
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-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382859
4-(2-Methylimidazo[2,1-b][1,3]thiazol-3-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382860
4-(5-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382861
4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82384112

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (CID 82384111) is 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is Cc1cn2cc(-c3nonc3C(=O)O)n(C)c2n1.
What is the InChIKey of 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is SVTLHMTXEXHSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-5-3-15-4-6(14(2)10(15)11-5)7-8(9(16)17)13-18-12-7/h3-4H,1-2H3,(H,16,17).
What are the key properties of 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82384111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).