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

C10H8F4N2O — CID 59323624

IUPAC(4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cc(F)ccc2C(F)(F)F)CO1
InChIInChI=1S/C10H8F4N2O/c11-5-1-2-7(10(12,13)14)6(3-5)8-4-17-9(15)16-8/h1-3,8H,4H2,(H2,15,16)/t8-/m1/s1
InChIKeyBYAVKKTXNWWVLD-MRVPVSSYSA-N
MW248.18 g/mol
LogP2.23
Rot. Bonds1

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

(4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323624) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323624
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC Name(4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cc(F)ccc2C(F)(F)F)CO1
InChIInChI=1S/C10H8F4N2O/c11-5-1-2-7(10(12,13)14)6(3-5)8-4-17-9(15)16-8/h1-3,8H,4H2,(H2,15,16)/t8-/m1/s1
InChIKeyBYAVKKTXNWWVLD-MRVPVSSYSA-N
XLogP2.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323624) is (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2cc(F)ccc2C(F)(F)F)CO1.
What is the InChIKey of (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BYAVKKTXNWWVLD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c11-5-1-2-7(10(12,13)14)6(3-5)8-4-17-9(15)16-8/h1-3,8H,4H2,(H2,15,16)/t8-/m1/s1.
What are the key properties of (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 248.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).