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

C19H17F4N5O — CID 4841888

IUPAC2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)cc1
InChIInChI=1S/C19H17F4N5O/c20-15-4-1-13(2-5-15)18-26-25-17(29-18)12-27-7-9-28(10-8-27)16-6-3-14(11-24-16)19(21,22)23/h1-6,11H,7-10,12H2
InChIKeyUFRFVNQCHNDSJH-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.61
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 4841888) has the molecular formula C19H17F4N5O and a molecular weight of 407.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID4841888
Molecular FormulaC19H17F4N5O
Molecular Weight407.37 g/mol
Exact Mass407.14
IUPAC Name2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)cc1
InChIInChI=1S/C19H17F4N5O/c20-15-4-1-13(2-5-15)18-26-25-17(29-18)12-27-7-9-28(10-8-27)16-6-3-14(11-24-16)19(21,22)23/h1-6,11H,7-10,12H2
InChIKeyUFRFVNQCHNDSJH-UHFFFAOYSA-N
XLogP3.61
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71449521
2-[[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 2998677
2-(2-fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 45784107
2-Phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162649027
2-(4-Chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162656066
2-(2,4-Difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162657748
2-(4-Fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162659720
2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 162660949
2-(4-Bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162662842
2-[4-Fluoro-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71449524
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316
2-(Difluoromethyl)-5-[4-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722132

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 4841888) is 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is UFRFVNQCHNDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O/c20-15-4-1-13(2-5-15)18-26-25-17(29-18)12-27-7-9-28(10-8-27)16-6-3-14(11-24-16)19(21,22)23/h1-6,11H,7-10,12H2.
What are the key properties of 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 407.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4841888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).