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

C21H25N3O4 — CID 134001018

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1ccc(OC)c(OC)c1)Cc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H25N3O4/c1-5-24(13-15-6-11-18(26-3)19(12-15)27-4)14-20-22-21(28-23-20)16-7-9-17(25-2)10-8-16/h6-12H,5,13-14H2,1-4H3
InChIKeyUBICHJKEBSVUAA-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.78
Rot. Bonds9

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

N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 134001018) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID134001018
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1ccc(OC)c(OC)c1)Cc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H25N3O4/c1-5-24(13-15-6-11-18(26-3)19(12-15)27-4)14-20-22-21(28-23-20)16-7-9-17(25-2)10-8-16/h6-12H,5,13-14H2,1-4H3
InChIKeyUBICHJKEBSVUAA-UHFFFAOYSA-N
XLogP3.78
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 46990537
N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide
CID 134001035
5-(4-methoxyphenyl)-3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 78878564
N-[(2-methoxyphenyl)methyl]-N-[[4-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
CID 91167948
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099
N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
CID 167837344
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
3-methoxy-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31434194
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 47014060

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 134001018) is N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCN(Cc1ccc(OC)c(OC)c1)Cc1noc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is UBICHJKEBSVUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-24(13-15-6-11-18(26-3)19(12-15)27-4)14-20-22-21(28-23-20)16-7-9-17(25-2)10-8-16/h6-12H,5,13-14H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 383.45 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 134001018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).