5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid

C10H12N4O3 — CID 136991683

IUPAC5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESCC(C)Cc1noc(-c2[nH]cnc2C(=O)O)n1
InChIInChI=1S/C10H12N4O3/c1-5(2)3-6-13-9(17-14-6)7-8(10(15)16)12-4-11-7/h4-5H,3H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyCIBFZPOLMFKRNN-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.36
Rot. Bonds4

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

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (PubChem CID 136991683) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
PubChem CID136991683
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESCC(C)Cc1noc(-c2[nH]cnc2C(=O)O)n1
InChIInChI=1S/C10H12N4O3/c1-5(2)3-6-13-9(17-14-6)7-8(10(15)16)12-4-11-7/h4-5H,3H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyCIBFZPOLMFKRNN-UHFFFAOYSA-N
XLogP1.36
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (CID 136991683) is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is CC(C)Cc1noc(-c2[nH]cnc2C(=O)O)n1.
What is the InChIKey of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The InChIKey is CIBFZPOLMFKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5(2)3-6-13-9(17-14-6)7-8(10(15)16)12-4-11-7/h4-5H,3H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 136991683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).