(1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

C12H14FN3O2 — CID 162768011

IUPAC(1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
SMILESCO[C@H](C)[C@H](N)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O2/c1-7(17-2)10(14)12-15-11(16-18-12)8-4-3-5-9(13)6-8/h3-7,10H,14H2,1-2H3/t7-,10+/m1/s1
InChIKeyFDKFYCCDZLSSQT-XCBNKYQSSA-N
MW251.26 g/mol
LogP1.91
Rot. Bonds4

About (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

(1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine (PubChem CID 162768011) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine.

Molecular Properties

Compound Name(1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
PubChem CID162768011
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name(1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
SMILESCO[C@H](C)[C@H](N)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O2/c1-7(17-2)10(14)12-15-11(16-18-12)8-4-3-5-9(13)6-8/h3-7,10H,14H2,1-2H3/t7-,10+/m1/s1
InChIKeyFDKFYCCDZLSSQT-XCBNKYQSSA-N
XLogP1.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The IUPAC name of (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine (CID 162768011) is (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine.
What is the SMILES notation for (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The canonical SMILES for (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine is CO[C@H](C)[C@H](N)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The InChIKey is FDKFYCCDZLSSQT-XCBNKYQSSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7(17-2)10(14)12-15-11(16-18-12)8-4-3-5-9(13)6-8/h3-7,10H,14H2,1-2H3/t7-,10+/m1/s1.
What are the key properties of (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
(1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine has a molecular weight of 251.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine is sourced from PubChem (CID 162768011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).