3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole

C16H18N4O3 — CID 165424669

IUPAC3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1cc(C)cc(-c2nccn2Cc2nonc2C)c1OC
InChIInChI=1S/C16H18N4O3/c1-10-7-12(15(22-4)14(8-10)21-3)16-17-5-6-20(16)9-13-11(2)18-23-19-13/h5-8H,9H2,1-4H3
InChIKeyNKPATHWIIFZWMI-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.62
Rot. Bonds5

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

3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 165424669) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID165424669
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1cc(C)cc(-c2nccn2Cc2nonc2C)c1OC
InChIInChI=1S/C16H18N4O3/c1-10-7-12(15(22-4)14(8-10)21-3)16-17-5-6-20(16)9-13-11(2)18-23-19-13/h5-8H,9H2,1-4H3
InChIKeyNKPATHWIIFZWMI-UHFFFAOYSA-N
XLogP2.62
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 165420254
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid
CID 171712172
2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
CID 171322062
2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine
CID 165420343
3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 165422015
4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole
CID 165427260
2-(2-methoxy-3,5-dimethylphenyl)-1-(oxan-3-ylmethyl)imidazole
CID 56876111
2-(2,3-difluoro-4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 56863534
1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
CID 130424971
6-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 114582219
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56757332
2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
CID 110539968

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (CID 165424669) is 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is COc1cc(C)cc(-c2nccn2Cc2nonc2C)c1OC.
What is the InChIKey of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is NKPATHWIIFZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-7-12(15(22-4)14(8-10)21-3)16-17-5-6-20(16)9-13-11(2)18-23-19-13/h5-8H,9H2,1-4H3.
What are the key properties of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 314.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 165424669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).