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

C10H9N5O3 — CID 82378075

IUPAC3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1[nH]c2nc(-c3noc(C(=O)O)n3)cn2c1C
InChIInChI=1S/C10H9N5O3/c1-4-5(2)15-3-6(12-10(15)11-4)7-13-8(9(16)17)18-14-7/h3H,1-2H3,(H,11,12)(H,16,17)
InChIKeyRTVDHQYHDFDJSY-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.03
Rot. Bonds2

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

3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 82378075) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID82378075
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1[nH]c2nc(-c3noc(C(=O)O)n3)cn2c1C
InChIInChI=1S/C10H9N5O3/c1-4-5(2)15-3-6(12-10(15)11-4)7-13-8(9(16)17)18-14-7/h3H,1-2H3,(H,11,12)(H,16,17)
InChIKeyRTVDHQYHDFDJSY-UHFFFAOYSA-N
XLogP1.03
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2,3-dimethyl-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-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378072
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378064
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
4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82384112
2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid
CID 82384672
3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373646
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 82378066
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 82378075) is 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid is Cc1[nH]c2nc(-c3noc(C(=O)O)n3)cn2c1C.
What is the InChIKey of 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is RTVDHQYHDFDJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-4-5(2)15-3-6(12-10(15)11-4)7-13-8(9(16)17)18-14-7/h3H,1-2H3,(H,11,12)(H,16,17).
What are the key properties of 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 82378075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).