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

C19H20ClN3O3 — CID 31374350

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C19H20ClN3O3/c1-23(11-13-4-9-16(24-2)17(10-13)25-3)12-18-21-22-19(26-18)14-5-7-15(20)8-6-14/h4-10H,11-12H2,1-3H3
InChIKeyAOCNJWOYTWMWSA-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.04
Rot. Bonds7

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

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 31374350) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID31374350
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C19H20ClN3O3/c1-23(11-13-4-9-16(24-2)17(10-13)25-3)12-18-21-22-19(26-18)14-5-7-15(20)8-6-14/h4-10H,11-12H2,1-3H3
InChIKeyAOCNJWOYTWMWSA-UHFFFAOYSA-N
XLogP4.04
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(6-methoxynaphthalen-2-yl)-N-methylmethanamine
CID 46615095
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 55381888
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 126815454
1-(4-ethoxyphenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 34689783
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 33182726
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine (CID 31374350) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1OC.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is AOCNJWOYTWMWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-23(11-13-4-9-16(24-2)17(10-13)25-3)12-18-21-22-19(26-18)14-5-7-15(20)8-6-14/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 373.84 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 31374350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).