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

C16H22FN3O2 — CID 134018560

IUPAC2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCC(C)Cc1noc(CN(C)CCOc2ccc(F)cc2)n1
InChIInChI=1S/C16H22FN3O2/c1-12(2)10-15-18-16(22-19-15)11-20(3)8-9-21-14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyRYWAGHHRCUSLIJ-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.92
Rot. Bonds8

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

2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 134018560) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID134018560
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCC(C)Cc1noc(CN(C)CCOc2ccc(F)cc2)n1
InChIInChI=1S/C16H22FN3O2/c1-12(2)10-15-18-16(22-19-15)11-20(3)8-9-21-14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyRYWAGHHRCUSLIJ-UHFFFAOYSA-N
XLogP2.92
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(3-fluorophenyl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 86920071
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110929749
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411
1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 131919991
3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 52679477
2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 94695032
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 55533263
1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 47019668
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
4-fluoro-N-[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765729
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
CID 43243859
4-[[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]benzonitrile
CID 86869618

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 134018560) is 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CC(C)Cc1noc(CN(C)CCOc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is RYWAGHHRCUSLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-12(2)10-15-18-16(22-19-15)11-20(3)8-9-21-14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 307.37 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 134018560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).