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

C19H23N3O2 — CID 70706677

IUPAC5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc2oc(-c3nc(CC4CCN(C)CC4)no3)c(C)c2c1
InChIInChI=1S/C19H23N3O2/c1-12-4-5-16-15(10-12)13(2)18(23-16)19-20-17(21-24-19)11-14-6-8-22(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyYOFYYQKPKHCBKE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.98
Rot. Bonds3

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

5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 70706677) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID70706677
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc2oc(-c3nc(CC4CCN(C)CC4)no3)c(C)c2c1
InChIInChI=1S/C19H23N3O2/c1-12-4-5-16-15(10-12)13(2)18(23-16)19-20-17(21-24-19)11-14-6-8-22(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyYOFYYQKPKHCBKE-UHFFFAOYSA-N
XLogP3.98
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 70730859
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437360
5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53082466
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
1-[2-methyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one
CID 72900095
3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104980
3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
CID 56722649
N-[2-(azepan-1-yl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104966
3-(3,5-dimethyl-1-benzofuran-2-yl)-5-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 53011718
5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 72870819

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 70706677) is 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is Cc1ccc2oc(-c3nc(CC4CCN(C)CC4)no3)c(C)c2c1.
What is the InChIKey of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YOFYYQKPKHCBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-4-5-16-15(10-12)13(2)18(23-16)19-20-17(21-24-19)11-14-6-8-22(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 325.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70706677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).