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

C12H15ClFN3O2 — CID 162768050

IUPAC(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride
SMILESCO[C@H](C)[C@@H](N)c1nc(-c2cccc(F)c2)no1.Cl
InChIInChI=1S/C12H14FN3O2.ClH/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;1H/t7-,10-;/m1./s1
InChIKeyPPBRGJCGPHNZTL-YZUKSGEXSA-N
MW287.72 g/mol
LogP2.33
Rot. Bonds4

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

(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride (PubChem CID 162768050) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride
PubChem CID162768050
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC Name(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride
SMILESCO[C@H](C)[C@@H](N)c1nc(-c2cccc(F)c2)no1.Cl
InChIInChI=1S/C12H14FN3O2.ClH/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;1H/t7-,10-;/m1./s1
InChIKeyPPBRGJCGPHNZTL-YZUKSGEXSA-N
XLogP2.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride with MolForge

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Related Compounds

(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
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(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
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4-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
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2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
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(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
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3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62311650
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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride?
The IUPAC name of (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride (CID 162768050) is (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride.
What is the SMILES notation for (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride?
The canonical SMILES for (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride is CO[C@H](C)[C@@H](N)c1nc(-c2cccc(F)c2)no1.Cl.
What is the InChIKey of (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride?
The InChIKey is PPBRGJCGPHNZTL-YZUKSGEXSA-N. The full InChI is InChI=1S/C12H14FN3O2.ClH/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;1H/t7-,10-;/m1./s1.
What are the key properties of (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride?
(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride has a molecular weight of 287.72 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 162768050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).