3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole

C19H20N4O — CID 50769405

IUPAC3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1CCN(c2ccc(-c3noc(-c4ccncc4)n3)cc2)CC1
InChIInChI=1S/C19H20N4O/c1-14-8-12-23(13-9-14)17-4-2-15(3-5-17)18-21-19(24-22-18)16-6-10-20-11-7-16/h2-7,10-11,14H,8-9,12-13H2,1H3
InChIKeyIEIMAGSSSLNXOX-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.03
Rot. Bonds3

About 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole

3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 50769405) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID50769405
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1CCN(c2ccc(-c3noc(-c4ccncc4)n3)cc2)CC1
InChIInChI=1S/C19H20N4O/c1-14-8-12-23(13-9-14)17-4-2-15(3-5-17)18-21-19(24-22-18)16-6-10-20-11-7-16/h2-7,10-11,14H,8-9,12-13H2,1H3
InChIKeyIEIMAGSSSLNXOX-UHFFFAOYSA-N
XLogP4.03
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 50769405) is 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole is CC1CCN(c2ccc(-c3noc(-c4ccncc4)n3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is IEIMAGSSSLNXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-8-12-23(13-9-14)17-4-2-15(3-5-17)18-21-19(24-22-18)16-6-10-20-11-7-16/h2-7,10-11,14H,8-9,12-13H2,1H3.
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50769405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).