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

C23H26N4O2 — CID 25241706

IUPAC1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3
InChIKeyKOKQBQSCGZSNAT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.63
Rot. Bonds5

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

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 25241706) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID25241706
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3
InChIKeyKOKQBQSCGZSNAT-UHFFFAOYSA-N
XLogP3.63
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 25241706) is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one is Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is KOKQBQSCGZSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 25241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).