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

C10H8ClF3N2O — CID 56835992

IUPAC(4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(Cl)cc2C(F)(F)F)CO1
InChIInChI=1S/C10H8ClF3N2O/c11-5-1-2-6(7(3-5)10(12,13)14)8-4-17-9(15)16-8/h1-3,8H,4H2,(H2,15,16)/t8-/m1/s1
InChIKeyFTJTYSRRHYGDNG-MRVPVSSYSA-N
MW264.63 g/mol
LogP2.74
Rot. Bonds1

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

(4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 56835992) has the molecular formula C10H8ClF3N2O and a molecular weight of 264.63 g/mol. Its IUPAC name is (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID56835992
Molecular FormulaC10H8ClF3N2O
Molecular Weight264.63 g/mol
Exact Mass264.03
IUPAC Name(4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(Cl)cc2C(F)(F)F)CO1
InChIInChI=1S/C10H8ClF3N2O/c11-5-1-2-6(7(3-5)10(12,13)14)8-4-17-9(15)16-8/h1-3,8H,4H2,(H2,15,16)/t8-/m1/s1
InChIKeyFTJTYSRRHYGDNG-MRVPVSSYSA-N
XLogP2.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 56835992) is (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccc(Cl)cc2C(F)(F)F)CO1.
What is the InChIKey of (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is FTJTYSRRHYGDNG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O/c11-5-1-2-6(7(3-5)10(12,13)14)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-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 264.63 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 56835992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).