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

C7H6N4O3 — CID 136991685

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1noc(-c2[nH]cnc2C(=O)O)n1
InChIInChI=1S/C7H6N4O3/c1-3-10-6(14-11-3)4-5(7(12)13)9-2-8-4/h2H,1H3,(H,8,9)(H,12,13)
InChIKeyPCISCHOUSWAQDG-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.47
Rot. Bonds2

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

5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 136991685) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid
PubChem CID136991685
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1noc(-c2[nH]cnc2C(=O)O)n1
InChIInChI=1S/C7H6N4O3/c1-3-10-6(14-11-3)4-5(7(12)13)9-2-8-4/h2H,1H3,(H,8,9)(H,12,13)
InChIKeyPCISCHOUSWAQDG-UHFFFAOYSA-N
XLogP0.47
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991713
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991683
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991739
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991715
5-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136997481
5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 170984863
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
CID 118361930
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
CID 58252537
5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
CID 96590892
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid (CID 136991685) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid is Cc1noc(-c2[nH]cnc2C(=O)O)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is PCISCHOUSWAQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-3-10-6(14-11-3)4-5(7(12)13)9-2-8-4/h2H,1H3,(H,8,9)(H,12,13).
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 136991685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).