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

C15H18F3N5O — CID 37139535

IUPAC3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C15H18F3N5O/c1-10(14-20-11(2)21-24-14)22-5-7-23(8-6-22)13-4-3-12(9-19-13)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyCVOGQJSWIDQKSJ-JTQLQIEISA-N
MW341.34 g/mol
LogP2.68
Rot. Bonds3

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

3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 37139535) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID37139535
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C15H18F3N5O/c1-10(14-20-11(2)21-24-14)22-5-7-23(8-6-22)13-4-3-12(9-19-13)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyCVOGQJSWIDQKSJ-JTQLQIEISA-N
XLogP2.68
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95587278
1-[(1R)-1-pyridin-3-ylethyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 52523994
3-methyl-5-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 42947950
5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 133281442
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36643556
2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 34041509
6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56818248
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
3-methyl-5-[1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55531129
2-methyl-5-[(1S)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276718
2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 37139535) is 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@H](C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CVOGQJSWIDQKSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10(14-20-11(2)21-24-14)22-5-7-23(8-6-22)13-4-3-12(9-19-13)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 341.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 37139535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).