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

C19H19Cl2N3O3 — CID 47521064

IUPACN-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1
InChIInChI=1S/C19H19Cl2N3O3/c1-24(10-12-4-6-14(25-2)9-17(12)26-3)11-18-22-23-19(27-18)15-7-5-13(20)8-16(15)21/h4-9H,10-11H2,1-3H3
InChIKeyOAVYKNAHFUTEPV-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.69
Rot. Bonds7

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

N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 47521064) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID47521064
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC NameN-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1
InChIInChI=1S/C19H19Cl2N3O3/c1-24(10-12-4-6-14(25-2)9-17(12)26-3)11-18-22-23-19(27-18)15-7-5-13(20)8-16(15)21/h4-9H,10-11H2,1-3H3
InChIKeyOAVYKNAHFUTEPV-UHFFFAOYSA-N
XLogP4.69
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine with MolForge

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 9067334
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 47395100
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(6-methoxynaphthalen-2-yl)-N-methylmethanamine
CID 46615095
2-(2,4-dichlorophenyl)-5-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92644913
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 31374350
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103173
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424
6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 9241011
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
CID 110652197
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
2-[3-(4-chlorophenoxy)propylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 7648148

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (CID 47521064) is N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is OAVYKNAHFUTEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-24(10-12-4-6-14(25-2)9-17(12)26-3)11-18-22-23-19(27-18)15-7-5-13(20)8-16(15)21/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 408.29 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 47521064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).