5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid

C10H9N5O3 — CID 82384113

IUPAC5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1cn2cc(-c3noc(N)c3C(=O)O)nc2[nH]1
InChIInChI=1S/C10H9N5O3/c1-4-2-15-3-5(13-10(15)12-4)7-6(9(16)17)8(11)18-14-7/h2-3H,11H2,1H3,(H,12,13)(H,16,17)
InChIKeyDIDAYMJSQZSQMV-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.91
Rot. Bonds2

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

5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82384113) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID82384113
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1cn2cc(-c3noc(N)c3C(=O)O)nc2[nH]1
InChIInChI=1S/C10H9N5O3/c1-4-2-15-3-5(13-10(15)12-4)7-6(9(16)17)8(11)18-14-7/h2-3H,11H2,1H3,(H,12,13)(H,16,17)
InChIKeyDIDAYMJSQZSQMV-UHFFFAOYSA-N
XLogP0.91
TPSA122.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid with MolForge

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Related Compounds

5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
CID 165449877
3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 165832447
5-Methyl-3-(1-methyl-4-imidazolyl)isoxazole-4-carboxylic Acid
CID 22309068
5-methyl-3-(1-methyl-1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
CID 66116654
5-Methyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
CID 66129984
5-Ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
CID 66130186
3-(1-Ethyl-1h-imidazol-5-yl)-5-methylisoxazole-4-carboxylic acid
CID 66133046
5-ethyl-3-(1-ethyl-1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
CID 66133255
5-Methyl-3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
CID 66161791
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid (CID 82384113) is 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid is Cc1cn2cc(-c3noc(N)c3C(=O)O)nc2[nH]1.
What is the InChIKey of 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is DIDAYMJSQZSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-4-2-15-3-5(13-10(15)12-4)7-6(9(16)17)8(11)18-14-7/h2-3H,11H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid?
5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82384113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).