3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C19H25N5O2 — CID 91829876

IUPAC3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC(c3nc4c(C)cccc4[nH]3)C2)n1
InChIInChI=1S/C19H25N5O2/c1-13-5-3-7-15-18(13)22-19(20-15)14-6-4-9-24(11-14)12-17-21-16(23-26-17)8-10-25-2/h3,5,7,14H,4,6,8-12H2,1-2H3,(H,20,22)
InChIKeyXGTKENZXMRKQJB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.82
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 91829876) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID91829876
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC(c3nc4c(C)cccc4[nH]3)C2)n1
InChIInChI=1S/C19H25N5O2/c1-13-5-3-7-15-18(13)22-19(20-15)14-6-4-9-24(11-14)12-17-21-16(23-26-17)8-10-25-2/h3,5,7,14H,4,6,8-12H2,1-2H3,(H,20,22)
InChIKeyXGTKENZXMRKQJB-UHFFFAOYSA-N
XLogP2.82
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 91829876) is 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCCC(c3nc4c(C)cccc4[nH]3)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is XGTKENZXMRKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-5-3-7-15-18(13)22-19(20-15)14-6-4-9-24(11-14)12-17-21-16(23-26-17)8-10-25-2/h3,5,7,14H,4,6,8-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 355.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91829876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).