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

C16H19NO4 — CID 134870598

IUPAC(4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@H](O)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C16H19NO4/c1-3-4-10-13(18)15(19)17-11(2)14(21-16(17)20)12-8-6-5-7-9-12/h3,5-9,11,13-14,18H,1,4,10H2,2H3/t11-,13-,14-/m1/s1
InChIKeyBYUJFPSXMRYRPP-MRVWCRGKSA-N
MW289.33 g/mol
LogP2.42
Rot. Bonds5

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

(4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 134870598) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID134870598
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@H](O)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C16H19NO4/c1-3-4-10-13(18)15(19)17-11(2)14(21-16(17)20)12-8-6-5-7-9-12/h3,5-9,11,13-14,18H,1,4,10H2,2H3/t11-,13-,14-/m1/s1
InChIKeyBYUJFPSXMRYRPP-MRVWCRGKSA-N
XLogP2.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.42
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 (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 134870598) is (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C=CCC[C@@H](O)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BYUJFPSXMRYRPP-MRVWCRGKSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-4-10-13(18)15(19)17-11(2)14(21-16(17)20)12-8-6-5-7-9-12/h3,5-9,11,13-14,18H,1,4,10H2,2H3/t11-,13-,14-/m1/s1.
What are the key properties of (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R)-2-hydroxyhex-5-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134870598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).