2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid

C8H7N3O3 — CID 95991033

IUPAC2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2cnco2)[nH]1
InChIInChI=1S/C8H7N3O3/c1-4-10-6(5-2-9-3-14-5)7(11-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyWANRROIVAXXFHQ-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.07
Rot. Bonds2

About 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid

2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 95991033) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
PubChem CID95991033
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2cnco2)[nH]1
InChIInChI=1S/C8H7N3O3/c1-4-10-6(5-2-9-3-14-5)7(11-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyWANRROIVAXXFHQ-UHFFFAOYSA-N
XLogP1.07
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (CID 95991033) is 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is Cc1nc(C(=O)O)c(-c2cnco2)[nH]1.
What is the InChIKey of 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is WANRROIVAXXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4-10-6(5-2-9-3-14-5)7(11-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 95991033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).