(4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C14H14FNO3 — CID 135043643

IUPAC(4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CC(F)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H14FNO3/c1-3-11(15)13(17)16-9(2)12(19-14(16)18)10-7-5-4-6-8-10/h3-9,11-12H,1H2,2H3/t9-,11?,12-/m1/s1
InChIKeyLNPJADBVFBUZFZ-WSXXKJPRSA-N
MW263.27 g/mol
LogP2.62
Rot. Bonds3

About (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 135043643) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID135043643
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name(4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CC(F)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H14FNO3/c1-3-11(15)13(17)16-9(2)12(19-14(16)18)10-7-5-4-6-8-10/h3-9,11-12H,1H2,2H3/t9-,11?,12-/m1/s1
InChIKeyLNPJADBVFBUZFZ-WSXXKJPRSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 135043643) is (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C=CC(F)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LNPJADBVFBUZFZ-WSXXKJPRSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-3-11(15)13(17)16-9(2)12(19-14(16)18)10-7-5-4-6-8-10/h3-9,11-12H,1H2,2H3/t9-,11?,12-/m1/s1.
What are the key properties of (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 263.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-(2-fluorobut-3-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135043643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).