(4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C13H15F4N3O — CID 25019618

IUPAC(4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@@H]1COC(N)=N1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F4N3O/c1-2-20(6-10-7-21-12(18)19-10)11-4-8(13(15,16)17)3-9(14)5-11/h3-5,10H,2,6-7H2,1H3,(H2,18,19)/t10-/m1/s1
InChIKeyBXHPYABUZLMAPB-SNVBAGLBSA-N
MW305.28 g/mol
LogP2.38
Rot. Bonds4

About (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

(4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 25019618) has the molecular formula C13H15F4N3O and a molecular weight of 305.28 g/mol. Its IUPAC name is (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID25019618
Molecular FormulaC13H15F4N3O
Molecular Weight305.28 g/mol
Exact Mass305.12
IUPAC Name(4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@@H]1COC(N)=N1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F4N3O/c1-2-20(6-10-7-21-12(18)19-10)11-4-8(13(15,16)17)3-9(14)5-11/h3-5,10H,2,6-7H2,1H3,(H2,18,19)/t10-/m1/s1
InChIKeyBXHPYABUZLMAPB-SNVBAGLBSA-N
XLogP2.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-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 (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 25019618) is (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(C[C@@H]1COC(N)=N1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BXHPYABUZLMAPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F4N3O/c1-2-20(6-10-7-21-12(18)19-10)11-4-8(13(15,16)17)3-9(14)5-11/h3-5,10H,2,6-7H2,1H3,(H2,18,19)/t10-/m1/s1.
What are the key properties of (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 305.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[N-ethyl-3-fluoro-5-(trifluoromethyl)anilino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 25019618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).