(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C13H13FN2O3 — CID 59697478

IUPAC(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC=CCc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F
InChIInChI=1S/C13H13FN2O3/c1-2-3-8-6-9(4-5-10(8)14)13-15-11(7-19-13)12(17)16-18/h2,4-6,11,18H,1,3,7H2,(H,16,17)/t11-/m1/s1
InChIKeyPVALOHBLYYAPGI-LLVKDONJSA-N
MW264.26 g/mol
LogP1.21
Rot. Bonds4

About (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 59697478) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID59697478
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC=CCc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F
InChIInChI=1S/C13H13FN2O3/c1-2-3-8-6-9(4-5-10(8)14)13-15-11(7-19-13)12(17)16-18/h2,4-6,11,18H,1,3,7H2,(H,16,17)/t11-/m1/s1
InChIKeyPVALOHBLYYAPGI-LLVKDONJSA-N
XLogP1.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 59697478) is (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is C=CCc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F.
What is the InChIKey of (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is PVALOHBLYYAPGI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-3-8-6-9(4-5-10(8)14)13-15-11(7-19-13)12(17)16-18/h2,4-6,11,18H,1,3,7H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59697478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).