3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one

C22H22F3N5O2 — CID 24503183

IUPAC3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)cc1
InChIInChI=1S/C22H22F3N5O2/c1-15-2-4-16(5-3-15)21-28-27-19(32-21)8-9-20(31)30-12-10-29(11-13-30)18-7-6-17(14-26-18)22(23,24)25/h2-7,14H,8-13H2,1H3
InChIKeyTUZXDWBSRBULIA-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.74
Rot. Bonds5

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one (PubChem CID 24503183) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
PubChem CID24503183
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)cc1
InChIInChI=1S/C22H22F3N5O2/c1-15-2-4-16(5-3-15)21-28-27-19(32-21)8-9-20(31)30-12-10-29(11-13-30)18-7-6-17(14-26-18)22(23,24)25/h2-7,14H,8-13H2,1H3
InChIKeyTUZXDWBSRBULIA-UHFFFAOYSA-N
XLogP3.74
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one (CID 24503183) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one is Cc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The InChIKey is TUZXDWBSRBULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-15-2-4-16(5-3-15)21-28-27-19(32-21)8-9-20(31)30-12-10-29(11-13-30)18-7-6-17(14-26-18)22(23,24)25/h2-7,14H,8-13H2,1H3.
What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one has a molecular weight of 445.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24503183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).