5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one

C23H26ClN3O4 — CID 46834627

IUPAC5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
SMILESCC1CC(C)CN(CCOc2ccc(-n3nc(Oc4ccc(Cl)cc4)oc3=O)cc2)C1
InChIInChI=1S/C23H26ClN3O4/c1-16-13-17(2)15-26(14-16)11-12-29-20-9-5-19(6-10-20)27-23(28)31-22(25-27)30-21-7-3-18(24)4-8-21/h3-10,16-17H,11-15H2,1-2H3
InChIKeyPUVMUVIVEGICHZ-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.63
Rot. Bonds7

About 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one

5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 46834627) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
PubChem CID46834627
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
SMILESCC1CC(C)CN(CCOc2ccc(-n3nc(Oc4ccc(Cl)cc4)oc3=O)cc2)C1
InChIInChI=1S/C23H26ClN3O4/c1-16-13-17(2)15-26(14-16)11-12-29-20-9-5-19(6-10-20)27-23(28)31-22(25-27)30-21-7-3-18(24)4-8-21/h3-10,16-17H,11-15H2,1-2H3
InChIKeyPUVMUVIVEGICHZ-UHFFFAOYSA-N
XLogP4.63
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-(4-chlorophenoxy)-3-[4-(3-piperazin-1-ylpropoxy)phenyl]-1,3,4-oxadiazol-2-one
CID 46834912
5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
CID 46830874
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
2-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methylpropanamide
CID 100691005
5-(2,4-difluorophenoxy)-3-[4-(3-piperazin-1-ylpropoxy)phenyl]-1,3,4-oxadiazol-2-one;dihydrochloride
CID 162648694
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one (CID 46834627) is 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one is CC1CC(C)CN(CCOc2ccc(-n3nc(Oc4ccc(Cl)cc4)oc3=O)cc2)C1.
What is the InChIKey of 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
The InChIKey is PUVMUVIVEGICHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-16-13-17(2)15-26(14-16)11-12-29-20-9-5-19(6-10-20)27-23(28)31-22(25-27)30-21-7-3-18(24)4-8-21/h3-10,16-17H,11-15H2,1-2H3.
What are the key properties of 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 443.93 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 46834627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).