5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C18H31N3O2 — CID 56706178

IUPAC5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(C3CCOC(C)(C)C3)n2)CC1
InChIInChI=1S/C18H31N3O2/c1-4-8-21-9-5-14(6-10-21)12-16-19-17(23-20-16)15-7-11-22-18(2,3)13-15/h14-15H,4-13H2,1-3H3
InChIKeyXJPAZNBHFHGRRW-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.41
Rot. Bonds5

About 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56706178) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56706178
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(C3CCOC(C)(C)C3)n2)CC1
InChIInChI=1S/C18H31N3O2/c1-4-8-21-9-5-14(6-10-21)12-16-19-17(23-20-16)15-7-11-22-18(2,3)13-15/h14-15H,4-13H2,1-3H3
InChIKeyXJPAZNBHFHGRRW-UHFFFAOYSA-N
XLogP3.41
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56706178) is 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCCN1CCC(Cc2noc(C3CCOC(C)(C)C3)n2)CC1.
What is the InChIKey of 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is XJPAZNBHFHGRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-4-8-21-9-5-14(6-10-21)12-16-19-17(23-20-16)15-7-11-22-18(2,3)13-15/h14-15H,4-13H2,1-3H3.
What are the key properties of 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 321.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56706178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).