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

C20H30N6O — CID 56898423

IUPAC2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3nnc(C(C)C)o3)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H30N6O/c1-14(2)20-24-23-19(27-20)13-25-8-6-7-16(12-25)17-11-18(22-15(3)21-17)26-9-4-5-10-26/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyCANQASZOHUYTNW-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.27
Rot. Bonds5

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

2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 56898423) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID56898423
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3nnc(C(C)C)o3)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H30N6O/c1-14(2)20-24-23-19(27-20)13-25-8-6-7-16(12-25)17-11-18(22-15(3)21-17)26-9-4-5-10-26/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyCANQASZOHUYTNW-UHFFFAOYSA-N
XLogP3.27
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 56898423) is 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is Cc1nc(C2CCCN(Cc3nnc(C(C)C)o3)C2)cc(N2CCCC2)n1.
What is the InChIKey of 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is CANQASZOHUYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14(2)20-24-23-19(27-20)13-25-8-6-7-16(12-25)17-11-18(22-15(3)21-17)26-9-4-5-10-26/h11,14,16H,4-10,12-13H2,1-3H3.
What are the key properties of 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 370.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 56898423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).