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

C15H18F3N5O — CID 56817339

IUPAC2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc(C(C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1
InChIInChI=1S/C15H18F3N5O/c1-10(14-21-20-11(2)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
InChIKeyCITAZJXQCQBPDT-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.68
Rot. Bonds3

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

2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 56817339) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID56817339
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc(C(C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1
InChIInChI=1S/C15H18F3N5O/c1-10(14-21-20-11(2)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
InChIKeyCITAZJXQCQBPDT-UHFFFAOYSA-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 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-piperidinamine
CID 31192252
1-Isobutyl-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-2-piperazinone
CID 45930251
2-(1H-pyrazol-1-yl)-1-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethanone
CID 49720390
3-({Ethyl[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]amino}methyl)pyridin-2-amine
CID 77081038
(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 97804440
(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide
CID 124852156
4-[(1S)-1-[5-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]morpholine
CID 164639788
Ethyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoate
CID 2781796
2-[4-(5-Trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionic acid methyl ester
CID 16100377
2-[4-[5-(Trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 46673117
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 52315140
4-({1-[5-(Trifluoromethyl)-2-pyridinyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 56600137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 56817339) is 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is Cc1nnc(C(C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1.
What is the InChIKey of 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is CITAZJXQCQBPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10(14-21-20-11(2)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.
What are the key properties of 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-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 2-methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56817339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).