3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole

C15H20N4O — CID 106408941

IUPAC3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
SMILESc1ccc(C2CN(CCc3ncon3)CCCN2)cc1
InChIInChI=1S/C15H20N4O/c1-2-5-13(6-3-1)14-11-19(9-4-8-16-14)10-7-15-17-12-20-18-15/h1-3,5-6,12,14,16H,4,7-11H2
InChIKeyHRSBIVVVIJEGMG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.65
Rot. Bonds4

About 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole

3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 106408941) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID106408941
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
SMILESc1ccc(C2CN(CCc3ncon3)CCCN2)cc1
InChIInChI=1S/C15H20N4O/c1-2-5-13(6-3-1)14-11-19(9-4-8-16-14)10-7-15-17-12-20-18-15/h1-3,5-6,12,14,16H,4,7-11H2
InChIKeyHRSBIVVVIJEGMG-UHFFFAOYSA-N
XLogP1.65
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408712
3-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185214
3-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 106409016
3-phenyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
CID 64859407
1-[2-(1-methylimidazol-2-yl)ethyl]-3-phenyl-1,4-diazepane
CID 114532416
1-(2-methylsulfonylethyl)-3-phenyl-1,4-diazepane
CID 64857272
3-phenyl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733330
1-(2,2-dimethylpropyl)-3-phenyl-1,4-diazepane
CID 64944001
3-phenyl-1-(pyridin-4-ylmethyl)-1,4-diazepane
CID 64857270
1-(cyclohexylmethyl)-3-phenyl-1,4-diazepane
CID 64857077
3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64831892
1-[(1-methylpiperidin-4-yl)methyl]-3-phenyl-1,4-diazepane
CID 64948938

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole (CID 106408941) is 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole is c1ccc(C2CN(CCc3ncon3)CCCN2)cc1.
What is the InChIKey of 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is HRSBIVVVIJEGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-5-13(6-3-1)14-11-19(9-4-8-16-14)10-7-15-17-12-20-18-15/h1-3,5-6,12,14,16H,4,7-11H2.
What are the key properties of 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole?
3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).