(4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide

C12H11F3N2O5 — CID 54592306

IUPAC(4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C2=N[C@H](C(=O)NO)CO2)cc1OC(F)(F)F
InChIInChI=1S/C12H11F3N2O5/c1-20-8-3-2-6(4-9(8)22-12(13,14)15)11-16-7(5-21-11)10(18)17-19/h2-4,7,19H,5H2,1H3,(H,17,18)/t7-/m0/s1
InChIKeyQHYOWOKCMNPPEQ-ZETCQYMHSA-N
MW320.22 g/mol
LogP1.24
Rot. Bonds4

About (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide

(4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 54592306) has the molecular formula C12H11F3N2O5 and a molecular weight of 320.22 g/mol. Its IUPAC name is (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID54592306
Molecular FormulaC12H11F3N2O5
Molecular Weight320.22 g/mol
Exact Mass320.06
IUPAC Name(4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C2=N[C@H](C(=O)NO)CO2)cc1OC(F)(F)F
InChIInChI=1S/C12H11F3N2O5/c1-20-8-3-2-6(4-9(8)22-12(13,14)15)11-16-7(5-21-11)10(18)17-19/h2-4,7,19H,5H2,1H3,(H,17,18)/t7-/m0/s1
InChIKeyQHYOWOKCMNPPEQ-ZETCQYMHSA-N
XLogP1.24
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 54592306) is (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is COc1ccc(C2=N[C@H](C(=O)NO)CO2)cc1OC(F)(F)F.
What is the InChIKey of (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is QHYOWOKCMNPPEQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H11F3N2O5/c1-20-8-3-2-6(4-9(8)22-12(13,14)15)11-16-7(5-21-11)10(18)17-19/h2-4,7,19H,5H2,1H3,(H,17,18)/t7-/m0/s1.
What are the key properties of (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 320.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-hydroxy-2-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 54592306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).