(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C13H15NO3 — CID 132917281

IUPAC(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC/C=C(\O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h3-9,12,15H,1-2H3/b11-3-/t9-,12-/m0/s1
InChIKeyFDDBRPLFDHJMEC-KZRPBXJRSA-N
MW233.27 g/mol
LogP2.99
Rot. Bonds2

About (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 132917281) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID132917281
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC/C=C(\O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h3-9,12,15H,1-2H3/b11-3-/t9-,12-/m0/s1
InChIKeyFDDBRPLFDHJMEC-KZRPBXJRSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-3-[(E)-but-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11806905
(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 91169232
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
CID 139264012
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(4R,5S)-3-[(2R)-2-hydroxypent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13461729
3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 69375520
(4R,5S)-3-(2-ethoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13438718
(4S,5R)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135055387
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 132917281) is (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C/C=C(\O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FDDBRPLFDHJMEC-KZRPBXJRSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h3-9,12,15H,1-2H3/b11-3-/t9-,12-/m0/s1.
What are the key properties of (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 132917281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).