1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine

C12H14FN3O2 — CID 107716494

IUPAC1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ncon2)cc1F
InChIInChI=1S/C12H14FN3O2/c1-8(14-2)10-4-3-9(5-11(10)13)17-6-12-15-7-18-16-12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyHZJPKAFMUJUGIC-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine

1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine (PubChem CID 107716494) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
PubChem CID107716494
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ncon2)cc1F
InChIInChI=1S/C12H14FN3O2/c1-8(14-2)10-4-3-9(5-11(10)13)17-6-12-15-7-18-16-12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyHZJPKAFMUJUGIC-UHFFFAOYSA-N
XLogP2.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 107171304
1-[2-fluoro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 107716681
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606
1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716897
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716998
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
1-[2-fluoro-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylethanamine
CID 107716449
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716568
N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82000947

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine (CID 107716494) is 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2ncon2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine?
The InChIKey is HZJPKAFMUJUGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-8(14-2)10-4-3-9(5-11(10)13)17-6-12-15-7-18-16-12/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine?
1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine has a molecular weight of 251.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 107716494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).