(4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C15H16FNO4 — CID 134277966

IUPAC(4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H16FNO4/c1-3-12(18)15(2,16)13(19)17-11(9-21-14(17)20)10-7-5-4-6-8-10/h3-8,11-12,18H,1,9H2,2H3/t11-,12-,15?/m1/s1
InChIKeyKANHFRGLHAXYIP-IQQIRFCMSA-N
MW293.29 g/mol
LogP1.98
Rot. Bonds4

About (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134277966) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134277966
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name(4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H16FNO4/c1-3-12(18)15(2,16)13(19)17-11(9-21-14(17)20)10-7-5-4-6-8-10/h3-8,11-12,18H,1,9H2,2H3/t11-,12-,15?/m1/s1
InChIKeyKANHFRGLHAXYIP-IQQIRFCMSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 134277966) is (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is C=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KANHFRGLHAXYIP-IQQIRFCMSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-3-12(18)15(2,16)13(19)17-11(9-21-14(17)20)10-7-5-4-6-8-10/h3-8,11-12,18H,1,9H2,2H3/t11-,12-,15?/m1/s1.
What are the key properties of (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 293.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134277966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).