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

C9H9N3O3 — CID 95991034

IUPAC2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ocnc2C)[nH]1
InChIInChI=1S/C9H9N3O3/c1-4-8(15-3-10-4)6-7(9(13)14)12-5(2)11-6/h3H,1-2H3,(H,11,12)(H,13,14)
InChIKeySWLUGTMZKANZOE-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.38
Rot. Bonds2

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

2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 95991034) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
PubChem CID95991034
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ocnc2C)[nH]1
InChIInChI=1S/C9H9N3O3/c1-4-8(15-3-10-4)6-7(9(13)14)12-5(2)11-6/h3H,1-2H3,(H,11,12)(H,13,14)
InChIKeySWLUGTMZKANZOE-UHFFFAOYSA-N
XLogP1.38
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (CID 95991034) is 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is Cc1nc(C(=O)O)c(-c2ocnc2C)[nH]1.
What is the InChIKey of 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is SWLUGTMZKANZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-4-8(15-3-10-4)6-7(9(13)14)12-5(2)11-6/h3H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 95991034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).