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

C18H19N3O2 — CID 23723371

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCOc1ccc(-c2noc(CN(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(12-14-6-4-3-5-7-14)13-17-19-18(20-23-17)15-8-10-16(22-2)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyWZYJKOOTMLVTPE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.38
Rot. Bonds6

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

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 23723371) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID23723371
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCOc1ccc(-c2noc(CN(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(12-14-6-4-3-5-7-14)13-17-19-18(20-23-17)15-8-10-16(22-2)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyWZYJKOOTMLVTPE-UHFFFAOYSA-N
XLogP3.38
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine (CID 23723371) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine is COc1ccc(-c2noc(CN(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is WZYJKOOTMLVTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(12-14-6-4-3-5-7-14)13-17-19-18(20-23-17)15-8-10-16(22-2)11-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 309.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 23723371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).