3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C20H25N3O2 — CID 70730859

IUPAC3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc2c(C)c(-c3nc(CC4CCN(C)CC4)no3)oc2c1C
InChIInChI=1S/C20H25N3O2/c1-12-5-6-16-14(3)19(24-18(16)13(12)2)20-21-17(22-25-20)11-15-7-9-23(4)10-8-15/h5-6,15H,7-11H2,1-4H3
InChIKeyNPOWAQLVAIWOLJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.29
Rot. Bonds3

About 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 70730859) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID70730859
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc2c(C)c(-c3nc(CC4CCN(C)CC4)no3)oc2c1C
InChIInChI=1S/C20H25N3O2/c1-12-5-6-16-14(3)19(24-18(16)13(12)2)20-21-17(22-25-20)11-15-7-9-23(4)10-8-15/h5-6,15H,7-11H2,1-4H3
InChIKeyNPOWAQLVAIWOLJ-UHFFFAOYSA-N
XLogP4.29
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 70706677
1-[2-methyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one
CID 72900095
3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080068
5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56709722
3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 56708461
5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56896490
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080232
4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 56703730
3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
CID 56722649
5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56918634
(3R)-3-[[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95225307

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 70730859) is 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is Cc1ccc2c(C)c(-c3nc(CC4CCN(C)CC4)no3)oc2c1C.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is NPOWAQLVAIWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-5-6-16-14(3)19(24-18(16)13(12)2)20-21-17(22-25-20)11-15-7-9-23(4)10-8-15/h5-6,15H,7-11H2,1-4H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 339.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70730859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).