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

C17H15Cl2N3O — CID 9251541

IUPAC1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15Cl2N3O/c1-22(10-12-7-8-14(18)15(19)9-12)11-16-20-17(21-23-16)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyVWEFCDLRLQSZPH-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.68
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 9251541) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID9251541
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15Cl2N3O/c1-22(10-12-7-8-14(18)15(19)9-12)11-16-20-17(21-23-16)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyVWEFCDLRLQSZPH-UHFFFAOYSA-N
XLogP4.68
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine 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

1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 8924238
1-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9058292
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
1-(2-chlorophenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 27097699
1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 9251492
1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26510056
3-(3,4-dichlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100598083
1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70751638
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214
3,4-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771036
1-(2-chloro-5-nitrophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 17437571

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 9251541) is 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is VWEFCDLRLQSZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-22(10-12-7-8-14(18)15(19)9-12)11-16-20-17(21-23-16)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 348.23 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 9251541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).