5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole

C15H21N7O — CID 126893958

IUPAC5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1ncno1)N1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H21N7O/c1-12(14-18-11-19-23-14)22-9-13(10-22)20-5-7-21(8-6-20)15-16-3-2-4-17-15/h2-4,11-13H,5-10H2,1H3
InChIKeyCVEPSGRLIAGCTO-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.43
Rot. Bonds4

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

5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 126893958) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID126893958
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1ncno1)N1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H21N7O/c1-12(14-18-11-19-23-14)22-9-13(10-22)20-5-7-21(8-6-20)15-16-3-2-4-17-15/h2-4,11-13H,5-10H2,1H3
InChIKeyCVEPSGRLIAGCTO-UHFFFAOYSA-N
XLogP0.43
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 126893958) is 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole is CC(c1ncno1)N1CC(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CVEPSGRLIAGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-12(14-18-11-19-23-14)22-9-13(10-22)20-5-7-21(8-6-20)15-16-3-2-4-17-15/h2-4,11-13H,5-10H2,1H3.
What are the key properties of 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole?
5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 315.38 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126893958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).