1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

C17H19N3O — CID 125478892

IUPAC1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCNCC1=N[C@@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C17H19N3O/c1-18-12-16-19-17(15-10-6-3-7-11-15)20(21-16)13-14-8-4-2-5-9-14/h2-11,17-18H,12-13H2,1H3/t17-/m1/s1
InChIKeyNCZCFAKVFMGTIR-QGZVFWFLSA-N
MW281.36 g/mol
LogP2.75
Rot. Bonds5

About 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (PubChem CID 125478892) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
PubChem CID125478892
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCNCC1=N[C@@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C17H19N3O/c1-18-12-16-19-17(15-10-6-3-7-11-15)20(21-16)13-14-8-4-2-5-9-14/h2-11,17-18H,12-13H2,1H3/t17-/m1/s1
InChIKeyNCZCFAKVFMGTIR-QGZVFWFLSA-N
XLogP2.75
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine 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 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (CID 125478892) is 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is CNCC1=N[C@@H](c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The InChIKey is NCZCFAKVFMGTIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-12-16-19-17(15-10-6-3-7-11-15)20(21-16)13-14-8-4-2-5-9-14/h2-11,17-18H,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 125478892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).