(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

C10H9F3N2O2 — CID 68716237

IUPAC(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cccc(OC(F)(F)F)c2)CO1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)/t8-/m1/s1
InChIKeyYOGVAZAHJULYJG-MRVPVSSYSA-N
MW246.19 g/mol
LogP1.97
Rot. Bonds2

About (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68716237) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68716237
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cccc(OC(F)(F)F)c2)CO1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)/t8-/m1/s1
InChIKeyYOGVAZAHJULYJG-MRVPVSSYSA-N
XLogP1.97
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
(4R)-4-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323787
1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 107105376
[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81010948
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81415060
3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione
CID 144594368
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
N,2,2-trimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81417291
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68716237) is (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2cccc(OC(F)(F)F)c2)CO1.
What is the InChIKey of (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YOGVAZAHJULYJG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)/t8-/m1/s1.
What are the key properties of (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 246.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68716237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).