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

C16H18FNO4 — CID 138733879

IUPAC4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C16H18FNO4/c1-3-13(19)16(2,17)14(20)18-12(10-22-15(18)21)9-11-7-5-4-6-8-11/h3-8,12-13,19H,1,9-10H2,2H3/t12?,13-,16?/m1/s1
InChIKeyBWLXVVRLQANOFI-MFOWVQHXSA-N
MW307.32 g/mol
LogP1.85
Rot. Bonds5

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

4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 138733879) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID138733879
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C16H18FNO4/c1-3-13(19)16(2,17)14(20)18-12(10-22-15(18)21)9-11-7-5-4-6-8-11/h3-8,12-13,19H,1,9-10H2,2H3/t12?,13-,16?/m1/s1
InChIKeyBWLXVVRLQANOFI-MFOWVQHXSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.85
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 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 138733879) is 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one is C=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is BWLXVVRLQANOFI-MFOWVQHXSA-N. The full InChI is InChI=1S/C16H18FNO4/c1-3-13(19)16(2,17)14(20)18-12(10-22-15(18)21)9-11-7-5-4-6-8-11/h3-8,12-13,19H,1,9-10H2,2H3/t12?,13-,16?/m1/s1.
What are the key properties of 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 307.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138733879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).