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

C13H16FN3O2 — CID 107718366

IUPAC(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
SMILESCCc1noc(COc2ccc([C@@H](C)N)c(F)c2)n1
InChIInChI=1S/C13H16FN3O2/c1-3-12-16-13(19-17-12)7-18-9-4-5-10(8(2)15)11(14)6-9/h4-6,8H,3,7,15H2,1-2H3/t8-/m1/s1
InChIKeyOJMWKCPBLBJCKG-MRVPVSSYSA-N
MW265.29 g/mol
LogP2.37
Rot. Bonds5

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

(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine (PubChem CID 107718366) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
PubChem CID107718366
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
SMILESCCc1noc(COc2ccc([C@@H](C)N)c(F)c2)n1
InChIInChI=1S/C13H16FN3O2/c1-3-12-16-13(19-17-12)7-18-9-4-5-10(8(2)15)11(14)6-9/h4-6,8H,3,7,15H2,1-2H3/t8-/m1/s1
InChIKeyOJMWKCPBLBJCKG-MRVPVSSYSA-N
XLogP2.37
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716111
(1R)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63368171
(1S)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107718894
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine
CID 63639421
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716311
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60879242
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine (CID 107718366) is (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine is CCc1noc(COc2ccc([C@@H](C)N)c(F)c2)n1.
What is the InChIKey of (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
The InChIKey is OJMWKCPBLBJCKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-3-12-16-13(19-17-12)7-18-9-4-5-10(8(2)15)11(14)6-9/h4-6,8H,3,7,15H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine has a molecular weight of 265.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107718366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).