3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid

C9H6N4O4 — CID 82378082

IUPAC3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1cn2cc(-c3noc(C(=O)O)n3)oc2n1
InChIInChI=1S/C9H6N4O4/c1-4-2-13-3-5(16-9(13)10-4)6-11-7(8(14)15)17-12-6/h2-3H,1H3,(H,14,15)
InChIKeyFRKUKNUYXIIXEA-UHFFFAOYSA-N
MW234.17 g/mol
LogP0.98
Rot. Bonds2

About 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid

3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 82378082) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID82378082
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC Name3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCc1cn2cc(-c3noc(C(=O)O)n3)oc2n1
InChIInChI=1S/C9H6N4O4/c1-4-2-13-3-5(16-9(13)10-4)6-11-7(8(14)15)17-12-6/h2-3H,1H3,(H,14,15)
InChIKeyFRKUKNUYXIIXEA-UHFFFAOYSA-N
XLogP0.98
TPSA106.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid with MolForge

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Related Compounds

3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378064
3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378072
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
3-(2,3-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378075
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378053
3-imidazo[2,1-b][1,3]thiazol-3-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 82378066
3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 96590921
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099
4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid
CID 82400699

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 82378082) is 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid is Cc1cn2cc(-c3noc(C(=O)O)n3)oc2n1.
What is the InChIKey of 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is FRKUKNUYXIIXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O4/c1-4-2-13-3-5(16-9(13)10-4)6-11-7(8(14)15)17-12-6/h2-3H,1H3,(H,14,15).
What are the key properties of 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 234.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylimidazo[2,1-b][1,3]oxazol-2-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 82378082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).