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

C16H18F3N3O3 — CID 163356722

IUPAC3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C16H18F3N3O3/c1-11-20-15(25-21-11)10-22-8-6-13(7-9-22)23-12-2-4-14(5-3-12)24-16(17,18)19/h2-5,13H,6-10H2,1H3
InChIKeyCZXFUUZDOGTHRW-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.32
Rot. Bonds5

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

3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 163356722) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID163356722
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C16H18F3N3O3/c1-11-20-15(25-21-11)10-22-8-6-13(7-9-22)23-12-2-4-14(5-3-12)24-16(17,18)19/h2-5,13H,6-10H2,1H3
InChIKeyCZXFUUZDOGTHRW-UHFFFAOYSA-N
XLogP3.32
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837560
5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 127437910
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 24611521
2-methyl-6-nitro-2-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 10094880
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
3-[(4-fluorophenoxy)methyl]-5-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 87022085
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]urea
CID 126805596
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 163356722) is 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1noc(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is CZXFUUZDOGTHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-11-20-15(25-21-11)10-22-8-6-13(7-9-22)23-12-2-4-14(5-3-12)24-16(17,18)19/h2-5,13H,6-10H2,1H3.
What are the key properties of 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 357.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 163356722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).