5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

C18H24N6O — CID 100651441

IUPAC5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESc1nc(N2CCCC2)cc(N2CCC(c3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C18H24N6O/c1-2-8-23(7-1)15-11-16(20-12-19-15)24-9-5-13(6-10-24)17-21-18(25-22-17)14-3-4-14/h11-14H,1-10H2
InChIKeyPQCUENLFVHDBLG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.72
Rot. Bonds4

About 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 100651441) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID100651441
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESc1nc(N2CCCC2)cc(N2CCC(c3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C18H24N6O/c1-2-8-23(7-1)15-11-16(20-12-19-15)24-9-5-13(6-10-24)17-21-18(25-22-17)14-3-4-14/h11-14H,1-10H2
InChIKeyPQCUENLFVHDBLG-UHFFFAOYSA-N
XLogP2.72
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 100651441) is 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is c1nc(N2CCCC2)cc(N2CCC(c3noc(C4CC4)n3)CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is PQCUENLFVHDBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-8-23(7-1)15-11-16(20-12-19-15)24-9-5-13(6-10-24)17-21-18(25-22-17)14-3-4-14/h11-14H,1-10H2.
What are the key properties of 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 340.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 100651441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).