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

C15H21N3OS — CID 65134246

IUPACN-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCCSCc1noc(CC(NC)c2ccccc2)n1
InChIInChI=1S/C15H21N3OS/c1-3-9-20-11-14-17-15(19-18-14)10-13(16-2)12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3
InChIKeyCHIUMRBRJYXTHX-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.22
Rot. Bonds8

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

N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 65134246) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID65134246
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCCSCc1noc(CC(NC)c2ccccc2)n1
InChIInChI=1S/C15H21N3OS/c1-3-9-20-11-14-17-15(19-18-14)10-13(16-2)12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3
InChIKeyCHIUMRBRJYXTHX-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-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

2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 65130327
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethyl]propan-1-amine
CID 65130030
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 79086484
N-ethyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63352343
phenyl-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65129508
N-methyl-1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65129866
N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63349001
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
N-methyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65143603
3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525367
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
CID 63892213
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 65134246) is N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCCSCc1noc(CC(NC)c2ccccc2)n1.
What is the InChIKey of N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is CHIUMRBRJYXTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-9-20-11-14-17-15(19-18-14)10-13(16-2)12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3.
What are the key properties of N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 65134246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).