(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine

C13H15F3N2O2 — CID 59173136

IUPAC(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@H](C[C@H]1COC(N)=N1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-8(6-10-7-19-12(17)18-10)20-11-4-2-9(3-5-11)13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H2,17,18)/t8-,10+/m1/s1
InChIKeyGPHJHIKGCIYNPB-SCZZXKLOSA-N
MW288.27 g/mol
LogP2.58
Rot. Bonds4

About (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173136) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173136
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@H](C[C@H]1COC(N)=N1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-8(6-10-7-19-12(17)18-10)20-11-4-2-9(3-5-11)13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H2,17,18)/t8-,10+/m1/s1
InChIKeyGPHJHIKGCIYNPB-SCZZXKLOSA-N
XLogP2.58
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59173136) is (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine is C[C@H](C[C@H]1COC(N)=N1)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is GPHJHIKGCIYNPB-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(6-10-7-19-12(17)18-10)20-11-4-2-9(3-5-11)13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H2,17,18)/t8-,10+/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 288.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).