(4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C11H8F4N2O3 — CID 10935207

IUPAC(4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2cc(F)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C11H8F4N2O3/c12-7-2-5(1-6(3-7)11(13,14)15)10-16-8(4-20-10)9(18)17-19/h1-3,8,19H,4H2,(H,17,18)/t8-/m1/s1
InChIKeyMJMYJVBFJHRDQH-MRVPVSSYSA-N
MW292.19 g/mol
LogP1.50
Rot. Bonds2

About (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 10935207) has the molecular formula C11H8F4N2O3 and a molecular weight of 292.19 g/mol. Its IUPAC name is (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID10935207
Molecular FormulaC11H8F4N2O3
Molecular Weight292.19 g/mol
Exact Mass292.05
IUPAC Name(4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2cc(F)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C11H8F4N2O3/c12-7-2-5(1-6(3-7)11(13,14)15)10-16-8(4-20-10)9(18)17-19/h1-3,8,19H,4H2,(H,17,18)/t8-/m1/s1
InChIKeyMJMYJVBFJHRDQH-MRVPVSSYSA-N
XLogP1.50
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 10935207) is (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)[C@H]1COC(c2cc(F)cc(C(F)(F)F)c2)=N1.
What is the InChIKey of (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is MJMYJVBFJHRDQH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H8F4N2O3/c12-7-2-5(1-6(3-7)11(13,14)15)10-16-8(4-20-10)9(18)17-19/h1-3,8,19H,4H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 292.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10935207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).