2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

C17H21F3N4O — CID 51963529

IUPAC2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H](C)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)o1
InChIInChI=1S/C17H21F3N4O/c1-12(16-22-21-13(2)25-16)24-9-7-23(8-10-24)11-14-3-5-15(6-4-14)17(18,19)20/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyFZTXKBBVLIBKMD-GFCCVEGCSA-N
MW354.38 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 51963529) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID51963529
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H](C)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)o1
InChIInChI=1S/C17H21F3N4O/c1-12(16-22-21-13(2)25-16)24-9-7-23(8-10-24)11-14-3-5-15(6-4-14)17(18,19)20/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeyFZTXKBBVLIBKMD-GFCCVEGCSA-N
XLogP3.28
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 94176627
2-[(1R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 94176653
2-[(1R)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95256306
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
2-[(1R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579457
2-(4-nitrophenyl)-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46614929
(2S)-N-carbamoyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 30956417
2-(3-chlorophenyl)-5-[1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46595701
N-propan-2-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 155975106
(2S)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanoic acid
CID 129415016
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 55470954

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 51963529) is 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is Cc1nnc([C@@H](C)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)o1.
What is the InChIKey of 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is FZTXKBBVLIBKMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-12(16-22-21-13(2)25-16)24-9-7-23(8-10-24)11-14-3-5-15(6-4-14)17(18,19)20/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 354.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 51963529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).