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

C17H24N4O2 — CID 56712399

IUPAC5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cccnc3OC)n2)CC1
InChIInChI=1S/C17H24N4O2/c1-3-9-21-10-6-13(7-11-21)12-15-19-17(23-20-15)14-5-4-8-18-16(14)22-2/h4-5,8,13H,3,6-7,9-12H2,1-2H3
InChIKeyWNUJSBUSHDLHLG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.80
Rot. Bonds6

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

5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56712399) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56712399
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cccnc3OC)n2)CC1
InChIInChI=1S/C17H24N4O2/c1-3-9-21-10-6-13(7-11-21)12-15-19-17(23-20-15)14-5-4-8-18-16(14)22-2/h4-5,8,13H,3,6-7,9-12H2,1-2H3
InChIKeyWNUJSBUSHDLHLG-UHFFFAOYSA-N
XLogP2.80
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56712399) is 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCCN1CCC(Cc2noc(-c3cccnc3OC)n2)CC1.
What is the InChIKey of 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WNUJSBUSHDLHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-9-21-10-6-13(7-11-21)12-15-19-17(23-20-15)14-5-4-8-18-16(14)22-2/h4-5,8,13H,3,6-7,9-12H2,1-2H3.
What are the key properties of 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 316.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-pyridinyl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56712399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).