4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine

C23H22F2N6O2 — CID 162443136

IUPAC4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cccc(CN5CCOCC5)c4)nn3)cc2)o1
InChIInChI=1S/C23H22F2N6O2/c24-21(25)23-28-27-22(33-23)18-6-4-16(5-7-18)14-31-15-20(26-29-31)19-3-1-2-17(12-19)13-30-8-10-32-11-9-30/h1-7,12,15,21H,8-11,13-14H2
InChIKeyYKEHPLWAJGBNPG-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.81
Rot. Bonds7

About 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine

4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine (PubChem CID 162443136) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine
PubChem CID162443136
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC Name4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cccc(CN5CCOCC5)c4)nn3)cc2)o1
InChIInChI=1S/C23H22F2N6O2/c24-21(25)23-28-27-22(33-23)18-6-4-16(5-7-18)14-31-15-20(26-29-31)19-3-1-2-17(12-19)13-30-8-10-32-11-9-30/h1-7,12,15,21H,8-11,13-14H2
InChIKeyYKEHPLWAJGBNPG-UHFFFAOYSA-N
XLogP3.81
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine (CID 162443136) is 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine is FC(F)c1nnc(-c2ccc(Cn3cc(-c4cccc(CN5CCOCC5)c4)nn3)cc2)o1.
What is the InChIKey of 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine?
The InChIKey is YKEHPLWAJGBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c24-21(25)23-28-27-22(33-23)18-6-4-16(5-7-18)14-31-15-20(26-29-31)19-3-1-2-17(12-19)13-30-8-10-32-11-9-30/h1-7,12,15,21H,8-11,13-14H2.
What are the key properties of 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine?
4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine has a molecular weight of 452.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 162443136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).