3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C18H16F3N5O2 — CID 16732154

IUPAC3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)17-22-16(25-28-17)14-6-7-15(24-23-14)26-10-8-13(9-11-26)27-12-4-2-1-3-5-12/h1-7,13H,8-11H2
InChIKeyIKWWJONBRKGIBA-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.59
Rot. Bonds4

About 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 16732154) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID16732154
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)17-22-16(25-28-17)14-6-7-15(24-23-14)26-10-8-13(9-11-26)27-12-4-2-1-3-5-12/h1-7,13H,8-11H2
InChIKeyIKWWJONBRKGIBA-UHFFFAOYSA-N
XLogP3.59
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 16732154) is 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1.
What is the InChIKey of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is IKWWJONBRKGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-18(20,21)17-22-16(25-28-17)14-6-7-15(24-23-14)26-10-8-13(9-11-26)27-12-4-2-1-3-5-12/h1-7,13H,8-11H2.
What are the key properties of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 391.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 16732154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).