5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C15H20N6O2 — CID 91834693

IUPAC5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(N2CCN(Cc3noc(C4CCCO4)n3)CC2)nc1
InChIInChI=1S/C15H20N6O2/c1-3-12(22-10-1)14-18-13(19-23-14)11-20-6-8-21(9-7-20)15-16-4-2-5-17-15/h2,4-5,12H,1,3,6-11H2
InChIKeyLWKDLQCUNZTMHZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.03
Rot. Bonds4

About 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 91834693) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID91834693
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(N2CCN(Cc3noc(C4CCCO4)n3)CC2)nc1
InChIInChI=1S/C15H20N6O2/c1-3-12(22-10-1)14-18-13(19-23-14)11-20-6-8-21(9-7-20)15-16-4-2-5-17-15/h2,4-5,12H,1,3,6-11H2
InChIKeyLWKDLQCUNZTMHZ-UHFFFAOYSA-N
XLogP1.03
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 91834693) is 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is c1cnc(N2CCN(Cc3noc(C4CCCO4)n3)CC2)nc1.
What is the InChIKey of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LWKDLQCUNZTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-12(22-10-1)14-18-13(19-23-14)11-20-6-8-21(9-7-20)15-16-4-2-5-17-15/h2,4-5,12H,1,3,6-11H2.
What are the key properties of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 316.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91834693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).