N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine

C16H21N3O2 — CID 61039973

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESc1ccc(Cc2noc(CNCCC3CCCO3)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-2-5-13(6-3-1)11-15-18-16(21-19-15)12-17-9-8-14-7-4-10-20-14/h1-3,5-6,14,17H,4,7-12H2
InChIKeyRLFIASBNAGCDEW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.32
Rot. Bonds7

About N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 61039973) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID61039973
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESc1ccc(Cc2noc(CNCCC3CCCO3)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-2-5-13(6-3-1)11-15-18-16(21-19-15)12-17-9-8-14-7-4-10-20-14/h1-3,5-6,14,17H,4,7-12H2
InChIKeyRLFIASBNAGCDEW-UHFFFAOYSA-N
XLogP2.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine 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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62977426
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine
CID 63363355
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
CID 61024158
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929660
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 106547122
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 61039973) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine is c1ccc(Cc2noc(CNCCC3CCCO3)n2)cc1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is RLFIASBNAGCDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-5-13(6-3-1)11-15-18-16(21-19-15)12-17-9-8-14-7-4-10-20-14/h1-3,5-6,14,17H,4,7-12H2.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61039973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).