5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C19H24F3N3O — CID 97022831

IUPAC5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESC[C@@H]1C[C@@H](C)CN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1
InChIInChI=1S/C19H24F3N3O/c1-13-9-14(2)12-25(11-13)8-4-7-17-23-18(24-26-17)15-5-3-6-16(10-15)19(20,21)22/h3,5-6,10,13-14H,4,7-9,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyPSDUDXVPEIIHAG-ZIAGYGMSSA-N
MW367.42 g/mol
LogP4.67
Rot. Bonds5

About 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 97022831) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID97022831
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESC[C@@H]1C[C@@H](C)CN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1
InChIInChI=1S/C19H24F3N3O/c1-13-9-14(2)12-25(11-13)8-4-7-17-23-18(24-26-17)15-5-3-6-16(10-15)19(20,21)22/h3,5-6,10,13-14H,4,7-9,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyPSDUDXVPEIIHAG-ZIAGYGMSSA-N
XLogP4.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

(2R,6R)-2,6-dimethyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 30136383
2-methyl-7-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155945436
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
(2S)-2-methyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 30138548
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
3,3-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 120774537
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CID 24680085
3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole
CID 55409485
5-[3-[(3-fluorophenyl)methylsulfonyl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 47035230
5-[1-[(2-methylphenyl)methyl]azetidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 71784157
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904082
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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 97022831) is 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is C[C@@H]1C[C@@H](C)CN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1.
What is the InChIKey of 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is PSDUDXVPEIIHAG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-13-9-14(2)12-25(11-13)8-4-7-17-23-18(24-26-17)15-5-3-6-16(10-15)19(20,21)22/h3,5-6,10,13-14H,4,7-9,11-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 367.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97022831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).