5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

C12H14N6O2 — CID 70705219

IUPAC5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1nc(Cn2ccnc2-c2nc[nH]c2C)no1
InChIInChI=1S/C12H14N6O2/c1-8-11(15-7-14-8)12-13-3-4-18(12)5-9-16-10(6-19-2)20-17-9/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyBMBBLPBMOHXFRO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.16
Rot. Bonds5

About 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 70705219) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID70705219
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1nc(Cn2ccnc2-c2nc[nH]c2C)no1
InChIInChI=1S/C12H14N6O2/c1-8-11(15-7-14-8)12-13-3-4-18(12)5-9-16-10(6-19-2)20-17-9/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyBMBBLPBMOHXFRO-UHFFFAOYSA-N
XLogP1.16
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole 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 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 70705219) is 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is COCc1nc(Cn2ccnc2-c2nc[nH]c2C)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BMBBLPBMOHXFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-8-11(15-7-14-8)12-13-3-4-18(12)5-9-16-10(6-19-2)20-17-9/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 274.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70705219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).