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

C18H19N5O — CID 91892571

IUPAC5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCC1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H19N5O/c1-13-7-9-23(10-8-13)17-15(11-19-12-20-17)18-21-16(22-24-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyKNMYHDSMZAQTDO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.43
Rot. Bonds3

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

5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 91892571) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID91892571
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCC1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H19N5O/c1-13-7-9-23(10-8-13)17-15(11-19-12-20-17)18-21-16(22-24-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyKNMYHDSMZAQTDO-UHFFFAOYSA-N
XLogP3.43
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole (CID 91892571) is 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole is CC1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is KNMYHDSMZAQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-7-9-23(10-8-13)17-15(11-19-12-20-17)18-21-16(22-24-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole?
5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 91892571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).