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

C15H20ClN3O2 — CID 52679753

IUPAC3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
SMILESCCc1noc(CN(C)CCCOc2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN3O2/c1-3-14-17-15(21-18-14)11-19(2)8-5-9-20-13-7-4-6-12(16)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3
InChIKeyWNWVITDDYUVYIK-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.19
Rot. Bonds8

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

3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine (PubChem CID 52679753) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
PubChem CID52679753
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
SMILESCCc1noc(CN(C)CCCOc2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN3O2/c1-3-14-17-15(21-18-14)11-19(2)8-5-9-20-13-7-4-6-12(16)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3
InChIKeyWNWVITDDYUVYIK-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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Related Compounds

3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 52679477
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
2-[3-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]anilino]acetic acid
CID 60834804
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60879242
2-(3-chlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylethanamine
CID 112798638
2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
CID 55537534
5-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 137344399
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
3-(3-chlorophenoxy)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
CID 60587411

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine (CID 52679753) is 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine is CCc1noc(CN(C)CCCOc2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is WNWVITDDYUVYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-14-17-15(21-18-14)11-19(2)8-5-9-20-13-7-4-6-12(16)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine?
3-(3-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-(3-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 52679753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).