2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

C24H25N5O2 — CID 86895358

IUPAC2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(CN3CCN(Cc4nc(-c5ccccc5)co4)CC3)o2)cc1
InChIInChI=1S/C24H25N5O2/c1-3-7-19(8-4-1)15-22-26-27-24(31-22)17-29-13-11-28(12-14-29)16-23-25-21(18-30-23)20-9-5-2-6-10-20/h1-10,18H,11-17H2
InChIKeyBCSPAOKIZXDDCO-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.63
Rot. Bonds7

About 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 86895358) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID86895358
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(CN3CCN(Cc4nc(-c5ccccc5)co4)CC3)o2)cc1
InChIInChI=1S/C24H25N5O2/c1-3-7-19(8-4-1)15-22-26-27-24(31-22)17-29-13-11-28(12-14-29)16-23-25-21(18-30-23)20-9-5-2-6-10-20/h1-10,18H,11-17H2
InChIKeyBCSPAOKIZXDDCO-UHFFFAOYSA-N
XLogP3.63
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole 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-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 86895358) is 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is c1ccc(Cc2nnc(CN3CCN(Cc4nc(-c5ccccc5)co4)CC3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is BCSPAOKIZXDDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-7-19(8-4-1)15-22-26-27-24(31-22)17-29-13-11-28(12-14-29)16-23-25-21(18-30-23)20-9-5-2-6-10-20/h1-10,18H,11-17H2.
What are the key properties of 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 415.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86895358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).