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

C12H8F6N2O3 — CID 10925902

IUPAC(4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C12H8F6N2O3/c13-11(14,15)6-1-5(2-7(3-6)12(16,17)18)10-19-8(4-23-10)9(21)20-22/h1-3,8,22H,4H2,(H,20,21)/t8-/m1/s1
InChIKeySTSDGRNFWTWSHW-MRVPVSSYSA-N
MW342.20 g/mol
LogP2.38
Rot. Bonds2

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

(4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 10925902) has the molecular formula C12H8F6N2O3 and a molecular weight of 342.20 g/mol. Its IUPAC name is (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID10925902
Molecular FormulaC12H8F6N2O3
Molecular Weight342.20 g/mol
Exact Mass342.04
IUPAC Name(4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C12H8F6N2O3/c13-11(14,15)6-1-5(2-7(3-6)12(16,17)18)10-19-8(4-23-10)9(21)20-22/h1-3,8,22H,4H2,(H,20,21)/t8-/m1/s1
InChIKeySTSDGRNFWTWSHW-MRVPVSSYSA-N
XLogP2.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 52.38
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-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 10925902) is (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)[C@H]1COC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1.
What is the InChIKey of (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is STSDGRNFWTWSHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H8F6N2O3/c13-11(14,15)6-1-5(2-7(3-6)12(16,17)18)10-19-8(4-23-10)9(21)20-22/h1-3,8,22H,4H2,(H,20,21)/t8-/m1/s1.
What are the key properties of (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 342.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10925902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).