5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole

C18H17F3N4O2S — CID 15980754

IUPAC5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)no1
InChIInChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3
InChIKeyOYUCOYCEJWDVQK-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.57
Rot. Bonds4

About 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole

5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 15980754) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole
PubChem CID15980754
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)no1
InChIInChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3
InChIKeyOYUCOYCEJWDVQK-UHFFFAOYSA-N
XLogP4.57
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazol-5-yl)methanol
CID 15980638
3-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazole
CID 46880840
2-Methyl-5-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,3,4-thiadiazole
CID 46880804
5-Methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine
CID 56664975
[4-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanone
CID 168270093
3-[3,5-Dimethyl-4-[3-(2-methyl-1,3-thiazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 15391526
5-(Difluoromethyl)-3-[4-[3-(2-ethyl-1,3-thiazol-5-yl)propoxy]-3,5-dimethylphenyl]-1,2,4-oxadiazole
CID 15391527
5-(Difluoromethyl)-3-[3,5-dimethyl-4-[3-(2-methyl-1,3-thiazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole
CID 22103394
3-[3,5-Dimethyl-4-[3-(1,3-thiazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 22103397
5-(Difluoromethyl)-3-[3,5-dimethyl-4-[3-(1,3-thiazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole
CID 22103458
3-[4-[3-(2-Ethyl-1,3-thiazol-5-yl)propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 22103459
[3-(2-{(3S)-3-[2-(Trifluoromethyl)phenoxy]pyrrolidin-1-yl}-1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 23634374

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole (CID 15980754) is 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole is Cc1nc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)no1.
What is the InChIKey of 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is OYUCOYCEJWDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 410.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 15980754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).