N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine

C15H20FN3O2 — CID 63065863

IUPACN-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCc1noc(CC)n1
InChIInChI=1S/C15H20FN3O2/c1-4-15-18-14(19-21-15)9-20-13-8-11(16)6-7-12(13)10(3)17-5-2/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyXSTNBBNQPIVHRI-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.02
Rot. Bonds7

About N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine

N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine (PubChem CID 63065863) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
PubChem CID63065863
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCc1noc(CC)n1
InChIInChI=1S/C15H20FN3O2/c1-4-15-18-14(19-21-15)9-20-13-8-11(16)6-7-12(13)10(3)17-5-2/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyXSTNBBNQPIVHRI-UHFFFAOYSA-N
XLogP3.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497220
(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78936141
(1R)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63368171
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 84598310
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 115297819
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640960
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
(1R)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001505
(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine (CID 63065863) is N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine is CCNC(C)c1ccc(F)cc1OCc1noc(CC)n1.
What is the InChIKey of N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine?
The InChIKey is XSTNBBNQPIVHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-4-15-18-14(19-21-15)9-20-13-8-11(16)6-7-12(13)10(3)17-5-2/h6-8,10,17H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine?
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine has a molecular weight of 293.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine is sourced from PubChem (CID 63065863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).