(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine

C17H14Cl3N3O — CID 9253608

IUPAC(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESC[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3N3O/c1-10(14-7-6-13(19)8-15(14)20)21-9-16-22-23-17(24-16)11-2-4-12(18)5-3-11/h2-8,10,21H,9H2,1H3/t10-/m0/s1
InChIKeyMCARWGQTUAVWEN-JTQLQIEISA-N
MW382.68 g/mol
LogP5.55
Rot. Bonds5

About (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine

(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 9253608) has the molecular formula C17H14Cl3N3O and a molecular weight of 382.68 g/mol. Its IUPAC name is (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine
PubChem CID9253608
Molecular FormulaC17H14Cl3N3O
Molecular Weight382.68 g/mol
Exact Mass381.02
IUPAC Name(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESC[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3N3O/c1-10(14-7-6-13(19)8-15(14)20)21-9-16-22-23-17(24-16)11-2-4-12(18)5-3-11/h2-8,10,21H,9H2,1H3/t10-/m0/s1
InChIKeyMCARWGQTUAVWEN-JTQLQIEISA-N
XLogP5.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine with MolForge

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
CID 43466953
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutan-1-amine
CID 110652439
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60719365
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
N-[1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 42960615
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39715287
(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 95934999
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine (CID 9253608) is (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine is C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is MCARWGQTUAVWEN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl3N3O/c1-10(14-7-6-13(19)8-15(14)20)21-9-16-22-23-17(24-16)11-2-4-12(18)5-3-11/h2-8,10,21H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine?
(1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine has a molecular weight of 382.68 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 9253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).