4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

C22H24N4O4 — CID 86903783

IUPAC4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=C(c1ccccc1)N1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1
InChIInChI=1S/C22H24N4O4/c27-19(16-26-20(23-30-22(26)29)17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)21(28)18-9-5-2-6-10-18/h1-10,19,27H,11-16H2
InChIKeyXTOXMKSRKDFXGN-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.32
Rot. Bonds6

About 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 86903783) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID86903783
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=C(c1ccccc1)N1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1
InChIInChI=1S/C22H24N4O4/c27-19(16-26-20(23-30-22(26)29)17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)21(28)18-9-5-2-6-10-18/h1-10,19,27H,11-16H2
InChIKeyXTOXMKSRKDFXGN-UHFFFAOYSA-N
XLogP1.32
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (CID 86903783) is 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is O=C(c1ccccc1)N1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1.
What is the InChIKey of 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is XTOXMKSRKDFXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-19(16-26-20(23-30-22(26)29)17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)21(28)18-9-5-2-6-10-18/h1-10,19,27H,11-16H2.
What are the key properties of 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 408.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 86903783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).