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

C15H18F3N7O — CID 126893904

IUPAC2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CC(N3CCN(c4ncccn4)CC3)C2)o1
InChIInChI=1S/C15H18F3N7O/c16-15(17,18)13-22-21-12(26-13)10-23-8-11(9-23)24-4-6-25(7-5-24)14-19-2-1-3-20-14/h1-3,11H,4-10H2
InChIKeyUOXFJNHATCFXQC-UHFFFAOYSA-N
MW369.35 g/mol
LogP0.88
Rot. Bonds4

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

2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 126893904) has the molecular formula C15H18F3N7O and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID126893904
Molecular FormulaC15H18F3N7O
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC Name2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CC(N3CCN(c4ncccn4)CC3)C2)o1
InChIInChI=1S/C15H18F3N7O/c16-15(17,18)13-22-21-12(26-13)10-23-8-11(9-23)24-4-6-25(7-5-24)14-19-2-1-3-20-14/h1-3,11H,4-10H2
InChIKeyUOXFJNHATCFXQC-UHFFFAOYSA-N
XLogP0.88
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 126893904) is 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CN2CC(N3CCN(c4ncccn4)CC3)C2)o1.
What is the InChIKey of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is UOXFJNHATCFXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7O/c16-15(17,18)13-22-21-12(26-13)10-23-8-11(9-23)24-4-6-25(7-5-24)14-19-2-1-3-20-14/h1-3,11H,4-10H2.
What are the key properties of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 369.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126893904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).