5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid

C7H6N4O3 — CID 136927079

IUPAC5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2ncc[nH]2)c1C(=O)O
InChIInChI=1S/C7H6N4O3/c8-5-3(7(12)13)4(11-14-5)6-9-1-2-10-6/h1-2H,8H2,(H,9,10)(H,12,13)
InChIKeyNGZOBIQJBAOWIN-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.35
Rot. Bonds2

About 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid

5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 136927079) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID136927079
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2ncc[nH]2)c1C(=O)O
InChIInChI=1S/C7H6N4O3/c8-5-3(7(12)13)4(11-14-5)6-9-1-2-10-6/h1-2H,8H2,(H,9,10)(H,12,13)
InChIKeyNGZOBIQJBAOWIN-UHFFFAOYSA-N
XLogP0.35
TPSA118.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid (CID 136927079) is 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid is Nc1onc(-c2ncc[nH]2)c1C(=O)O.
What is the InChIKey of 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is NGZOBIQJBAOWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c8-5-3(7(12)13)4(11-14-5)6-9-1-2-10-6/h1-2H,8H2,(H,9,10)(H,12,13).
What are the key properties of 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid?
5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 136927079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).