2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid

C11H10N4O3 — CID 82384678

IUPAC2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
SMILESCc1cc(-c2cn3c(CC(=O)O)cnc3[nH]2)on1
InChIInChI=1S/C11H10N4O3/c1-6-2-9(18-14-6)8-5-15-7(3-10(16)17)4-12-11(15)13-8/h2,4-5H,3H2,1H3,(H,12,13)(H,16,17)
InChIKeyXVORFVWTVQGWJU-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.25
Rot. Bonds3

About 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid

2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid (PubChem CID 82384678) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
PubChem CID82384678
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
SMILESCc1cc(-c2cn3c(CC(=O)O)cnc3[nH]2)on1
InChIInChI=1S/C11H10N4O3/c1-6-2-9(18-14-6)8-5-15-7(3-10(16)17)4-12-11(15)13-8/h2,4-5H,3H2,1H3,(H,12,13)(H,16,17)
InChIKeyXVORFVWTVQGWJU-UHFFFAOYSA-N
XLogP1.25
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid with MolForge

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Related Compounds

N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 135800119
N-(3-imidazol-1-ylpropyl)formamide;3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole
CID 143500885
2-[(5-Methyl-1,2-oxazol-3-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61849918
2-[(3-Methyl-1,2-oxazol-5-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61866483
3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373614
3-(7H-imidazo[1,2-a]imidazol-6-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82373622
4-methyl-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373623
4-(7H-imidazo[1,2-a]imidazol-6-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373645
3-methyl-4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373646
5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
CID 82384674
5-methyl-2-(5-methyl-1,2-oxazol-4-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
CID 82384675
2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
CID 82384676

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid (CID 82384678) is 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid is Cc1cc(-c2cn3c(CC(=O)O)cnc3[nH]2)on1.
What is the InChIKey of 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The InChIKey is XVORFVWTVQGWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-2-9(18-14-6)8-5-15-7(3-10(16)17)4-12-11(15)13-8/h2,4-5H,3H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid has a molecular weight of 246.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid is sourced from PubChem (CID 82384678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).