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

C19H26N4O2 — CID 110617506

IUPAC3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(c3nnc(C(C)C)o3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-14(2)18-20-21-19(25-18)23-12-10-22(11-13-23)17(24)9-8-16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyJGNXPYLLBLGTRK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.78
Rot. Bonds5

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

3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110617506) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110617506
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(c3nnc(C(C)C)o3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-14(2)18-20-21-19(25-18)23-12-10-22(11-13-23)17(24)9-8-16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyJGNXPYLLBLGTRK-UHFFFAOYSA-N
XLogP2.78
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 137342970
2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110603136
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
1-(4-chlorophenyl)-4-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417422
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110617502
2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110610847
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 110750495
4-(4-tert-butylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butan-1-one
CID 110419621
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (CID 110617506) is 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is Cc1ccc(CCC(=O)N2CCN(c3nnc(C(C)C)o3)CC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is JGNXPYLLBLGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)18-20-21-19(25-18)23-12-10-22(11-13-23)17(24)9-8-16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110617506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).