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

C14H13F3N2O4 — CID 11110305

IUPAC(4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC=CCOc1ccc(C2=N[C@@H](C(=O)NO)CO2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O4/c1-2-5-22-11-4-3-8(6-9(11)14(15,16)17)13-18-10(7-23-13)12(20)19-21/h2-4,6,10,21H,1,5,7H2,(H,19,20)/t10-/m1/s1
InChIKeyIRJRUPACTDBKDZ-SNVBAGLBSA-N
MW330.26 g/mol
LogP1.92
Rot. Bonds5

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

(4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 11110305) has the molecular formula C14H13F3N2O4 and a molecular weight of 330.26 g/mol. Its IUPAC name is (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID11110305
Molecular FormulaC14H13F3N2O4
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC Name(4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC=CCOc1ccc(C2=N[C@@H](C(=O)NO)CO2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O4/c1-2-5-22-11-4-3-8(6-9(11)14(15,16)17)13-18-10(7-23-13)12(20)19-21/h2-4,6,10,21H,1,5,7H2,(H,19,20)/t10-/m1/s1
InChIKeyIRJRUPACTDBKDZ-SNVBAGLBSA-N
XLogP1.92
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 11110305) is (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is C=CCOc1ccc(C2=N[C@@H](C(=O)NO)CO2)cc1C(F)(F)F.
What is the InChIKey of (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is IRJRUPACTDBKDZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13F3N2O4/c1-2-5-22-11-4-3-8(6-9(11)14(15,16)17)13-18-10(7-23-13)12(20)19-21/h2-4,6,10,21H,1,5,7H2,(H,19,20)/t10-/m1/s1.
What are the key properties of (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 330.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11110305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).