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

C9H7N5O3 — CID 82390173

IUPAC4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCn1c(-c2nonc2C(=O)O)cn2ccnc12
InChIInChI=1S/C9H7N5O3/c1-13-5(4-14-3-2-10-9(13)14)6-7(8(15)16)12-17-11-6/h2-4H,1H3,(H,15,16)
InChIKeyOJVCJBYHKKRGSV-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.42
Rot. Bonds2

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

4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 82390173) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID82390173
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Name4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCn1c(-c2nonc2C(=O)O)cn2ccnc12
InChIInChI=1S/C9H7N5O3/c1-13-5(4-14-3-2-10-9(13)14)6-7(8(15)16)12-17-11-6/h2-4H,1H3,(H,15,16)
InChIKeyOJVCJBYHKKRGSV-UHFFFAOYSA-N
XLogP0.42
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.42
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-(2,7-Dimethylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82384111

Frequently Asked Questions

What is the IUPAC name of 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (CID 82390173) is 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is Cn1c(-c2nonc2C(=O)O)cn2ccnc12.
What is the InChIKey of 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is OJVCJBYHKKRGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c1-13-5(4-14-3-2-10-9(13)14)6-7(8(15)16)12-17-11-6/h2-4H,1H3,(H,15,16).
What are the key properties of 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 233.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylimidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82390173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).