3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine

C15H20ClN3O2 — CID 52679477

IUPAC3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
SMILESCCc1noc(CN(C)CCCOc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H20ClN3O2/c1-3-14-17-15(21-18-14)11-19(2)9-4-10-20-13-7-5-12(16)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyARGYFNCCBISRLS-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.19
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine

3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine (PubChem CID 52679477) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
PubChem CID52679477
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
SMILESCCc1noc(CN(C)CCCOc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H20ClN3O2/c1-3-14-17-15(21-18-14)11-19(2)9-4-10-20-13-7-5-12(16)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyARGYFNCCBISRLS-UHFFFAOYSA-N
XLogP3.19
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine (CID 52679477) is 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine is CCc1noc(CN(C)CCCOc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is ARGYFNCCBISRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-14-17-15(21-18-14)11-19(2)9-4-10-20-13-7-5-12(16)6-8-13/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 52679477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).