2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C16H19F3N6O — CID 126893457

IUPAC2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CC(N3CCN(c4ccccn4)CC3)C2)o1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)15-22-21-14(26-15)11-23-9-12(10-23)24-5-7-25(8-6-24)13-3-1-2-4-20-13/h1-4,12H,5-11H2
InChIKeyVRMQMHBCGRRFCT-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.49
Rot. Bonds4

About 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 126893457) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID126893457
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CC(N3CCN(c4ccccn4)CC3)C2)o1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)15-22-21-14(26-15)11-23-9-12(10-23)24-5-7-25(8-6-24)13-3-1-2-4-20-13/h1-4,12H,5-11H2
InChIKeyVRMQMHBCGRRFCT-UHFFFAOYSA-N
XLogP1.49
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide
CID 124852156
2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 141318490
4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one
CID 167346841
2-Methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 45797141
2-Methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 45797258
2-Cyclopropyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 47522195
2-Propan-2-yl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56429865
2-Methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 56817339
1-(4-Pyridin-2-ylpiperazin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 60376209
2-[1-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole
CID 75463216
N-[(5-Methyl-1,3,4-oxadiazol-2-YL)methyl]-1-[5-(trifluoromethyl)pyridin-2-YL]piperidine-4-carboxamide
CID 90648623
2-methyl-5-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95579459

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 126893457) is 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CN2CC(N3CCN(c4ccccn4)CC3)C2)o1.
What is the InChIKey of 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is VRMQMHBCGRRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)15-22-21-14(26-15)11-23-9-12(10-23)24-5-7-25(8-6-24)13-3-1-2-4-20-13/h1-4,12H,5-11H2.
What are the key properties of 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 368.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126893457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).