N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine

C13H16ClN3O2 — CID 71866127

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(c1ncno1)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2/c1-10(13-15-9-16-19-13)17(2)7-8-18-12-5-3-11(14)4-6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCDMHRWGHUQVLKY-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 71866127) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID71866127
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(c1ncno1)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2/c1-10(13-15-9-16-19-13)17(2)7-8-18-12-5-3-11(14)4-6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCDMHRWGHUQVLKY-UHFFFAOYSA-N
XLogP2.79
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine (CID 71866127) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine is CC(c1ncno1)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is CDMHRWGHUQVLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-10(13-15-9-16-19-13)17(2)7-8-18-12-5-3-11(14)4-6-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 281.74 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 71866127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).