[4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C19H16F3N5O2 — CID 9089575

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nnco2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)15-5-6-16(23-11-15)26-7-9-27(10-8-26)18(28)14-3-1-13(2-4-14)17-25-24-12-29-17/h1-6,11-12H,7-10H2
InChIKeyGPIXAEHNVMKCPQ-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.11
Rot. Bonds3

About [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 9089575) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID9089575
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nnco2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)15-5-6-16(23-11-15)26-7-9-27(10-8-26)18(28)14-3-1-13(2-4-14)17-25-24-12-29-17/h1-6,11-12H,7-10H2
InChIKeyGPIXAEHNVMKCPQ-UHFFFAOYSA-N
XLogP3.11
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

4-{[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}benzyl 2,2,2-trifluoroethyl ether
CID 1091772
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-Nitrophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162654477
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-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 162673871
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 9089575) is [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1ccc(-c2nnco2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is GPIXAEHNVMKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)15-5-6-16(23-11-15)26-7-9-27(10-8-26)18(28)14-3-1-13(2-4-14)17-25-24-12-29-17/h1-6,11-12H,7-10H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 403.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 9089575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).