5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid

C11H10N4O3 — CID 82384674

IUPAC5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
SMILESCc1cc(-c2cn3c(C)c(C(=O)O)nc3[nH]2)on1
InChIInChI=1S/C11H10N4O3/c1-5-3-8(18-14-5)7-4-15-6(2)9(10(16)17)13-11(15)12-7/h3-4H,1-2H3,(H,12,13)(H,16,17)
InChIKeyBBOWMKSCMRMVSQ-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.63
Rot. Bonds2

About 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid

5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid (PubChem CID 82384674) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
PubChem CID82384674
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
SMILESCc1cc(-c2cn3c(C)c(C(=O)O)nc3[nH]2)on1
InChIInChI=1S/C11H10N4O3/c1-5-3-8(18-14-5)7-4-15-6(2)9(10(16)17)13-11(15)12-7/h3-4H,1-2H3,(H,12,13)(H,16,17)
InChIKeyBBOWMKSCMRMVSQ-UHFFFAOYSA-N
XLogP1.63
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79232711
3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373614
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
2-[6-(3-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
CID 82384678
2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde
CID 82384679
5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
CID 82385282
4-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82390172
5-(3-Methylimidazol-4-yl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxylic acid
CID 103115505

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
The IUPAC name of 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid (CID 82384674) is 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
The canonical SMILES for 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid is Cc1cc(-c2cn3c(C)c(C(=O)O)nc3[nH]2)on1.
What is the InChIKey of 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
The InChIKey is BBOWMKSCMRMVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-5-3-8(18-14-5)7-4-15-6(2)9(10(16)17)13-11(15)12-7/h3-4H,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid is sourced from PubChem (CID 82384674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).