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

C10H9N5O3 — CID 82384112

IUPAC4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2c(C)c(-c3nonc3C(=O)O)nc2[nH]1
InChIInChI=1S/C10H9N5O3/c1-4-3-15-5(2)6(12-10(15)11-4)7-8(9(16)17)14-18-13-7/h3H,1-2H3,(H,11,12)(H,16,17)
InChIKeyBRXLHXOVPKIFBI-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.03
Rot. Bonds2

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

4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 82384112) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID82384112
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESCc1cn2c(C)c(-c3nonc3C(=O)O)nc2[nH]1
InChIInChI=1S/C10H9N5O3/c1-4-3-15-5(2)6(12-10(15)11-4)7-8(9(16)17)14-18-13-7/h3H,1-2H3,(H,11,12)(H,16,17)
InChIKeyBRXLHXOVPKIFBI-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid (CID 82384112) is 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is Cc1cn2c(C)c(-c3nonc3C(=O)O)nc2[nH]1.
What is the InChIKey of 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is BRXLHXOVPKIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-4-3-15-5(2)6(12-10(15)11-4)7-8(9(16)17)14-18-13-7/h3H,1-2H3,(H,11,12)(H,16,17).
What are the key properties of 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-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 4-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82384112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).