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

C24H28N4O4 — CID 86903792

IUPAC4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESCCc1ccc(C(=O)N2CCN(CC(O)Cn3c(-c4ccccc4)noc3=O)CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-2-18-8-10-20(11-9-18)23(30)27-14-12-26(13-15-27)16-21(29)17-28-22(25-32-24(28)31)19-6-4-3-5-7-19/h3-11,21,29H,2,12-17H2,1H3
InChIKeyVKSWCDBKQWGBKL-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.88
Rot. Bonds7

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

4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 86903792) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID86903792
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESCCc1ccc(C(=O)N2CCN(CC(O)Cn3c(-c4ccccc4)noc3=O)CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-2-18-8-10-20(11-9-18)23(30)27-14-12-26(13-15-27)16-21(29)17-28-22(25-32-24(28)31)19-6-4-3-5-7-19/h3-11,21,29H,2,12-17H2,1H3
InChIKeyVKSWCDBKQWGBKL-UHFFFAOYSA-N
XLogP1.88
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (CID 86903792) is 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is CCc1ccc(C(=O)N2CCN(CC(O)Cn3c(-c4ccccc4)noc3=O)CC2)cc1.
What is the InChIKey of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is VKSWCDBKQWGBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-2-18-8-10-20(11-9-18)23(30)27-14-12-26(13-15-27)16-21(29)17-28-22(25-32-24(28)31)19-6-4-3-5-7-19/h3-11,21,29H,2,12-17H2,1H3.
What are the key properties of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 436.51 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 86903792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).