(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C16H19NO4 — CID 102386102

IUPAC(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C16H19NO4/c1-11(14-8-5-9-20-14)15(18)17-13(10-21-16(17)19)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyDACKKKBYRHXUJE-YUTCNCBUSA-N
MW289.33 g/mol
LogP2.52
Rot. Bonds3

About (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102386102) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID102386102
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C16H19NO4/c1-11(14-8-5-9-20-14)15(18)17-13(10-21-16(17)19)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyDACKKKBYRHXUJE-YUTCNCBUSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate
CID 11474746
[(4R,5S)-3-butyl-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413268
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413292
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate
CID 44413293
(2S)a1a[(4S)a4aBenzyla2aoxoa1,3aoxazolidina3ayl]a2a methylpentanea1,3adione
CID 11822363
3-Methacryloyl-4-phenyl-1,3-oxazolidin-2-one
CID 3962637
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102386102) is (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@@H]1CCCO1.
What is the InChIKey of (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DACKKKBYRHXUJE-YUTCNCBUSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(14-8-5-9-20-14)15(18)17-13(10-21-16(17)19)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3/t11-,13+,14-/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102386102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).