(4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C20H19FN2O4 — CID 57389612

IUPAC(4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC/C(=N\O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C20H19FN2O4/c21-16-11-9-14(10-12-16)17(22-26)7-4-8-19(24)23-18(13-27-20(23)25)15-5-2-1-3-6-15/h1-3,5-6,9-12,18,26H,4,7-8,13H2/b22-17+/t18-/m1/s1
InChIKeyKPKPNPWKWYCEBX-YMNYDYPGSA-N
MW370.38 g/mol
LogP3.89
Rot. Bonds6

About (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 57389612) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID57389612
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name(4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC/C(=N\O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C20H19FN2O4/c21-16-11-9-14(10-12-16)17(22-26)7-4-8-19(24)23-18(13-27-20(23)25)15-5-2-1-3-6-15/h1-3,5-6,9-12,18,26H,4,7-8,13H2/b22-17+/t18-/m1/s1
InChIKeyKPKPNPWKWYCEBX-YMNYDYPGSA-N
XLogP3.89
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 57389612) is (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCC/C(=N\O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KPKPNPWKWYCEBX-YMNYDYPGSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-16-11-9-14(10-12-16)17(22-26)7-4-8-19(24)23-18(13-27-20(23)25)15-5-2-1-3-6-15/h1-3,5-6,9-12,18,26H,4,7-8,13H2/b22-17+/t18-/m1/s1.
What are the key properties of (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 370.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5E)-5-(4-fluorophenyl)-5-hydroxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57389612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).