2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C24H27N5O2 — CID 71783663

IUPAC2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c30-23(29-13-11-28(12-14-29)21-9-5-2-6-10-21)18-27-16-20(17-27)24-25-22(26-31-24)15-19-7-3-1-4-8-19/h1-10,20H,11-18H2
InChIKeyGGHSQKGDMBBHCB-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.41
Rot. Bonds6

About 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 71783663) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID71783663
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c30-23(29-13-11-28(12-14-29)21-9-5-2-6-10-21)18-27-16-20(17-27)24-25-22(26-31-24)15-19-7-3-1-4-8-19/h1-10,20H,11-18H2
InChIKeyGGHSQKGDMBBHCB-UHFFFAOYSA-N
XLogP2.41
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone 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 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 71783663) is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is GGHSQKGDMBBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-23(29-13-11-28(12-14-29)21-9-5-2-6-10-21)18-27-16-20(17-27)24-25-22(26-31-24)15-19-7-3-1-4-8-19/h1-10,20H,11-18H2.
What are the key properties of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 417.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71783663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).