(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

C16H21NO5 — CID 14783203

IUPAC(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESCOC(OC)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO5/c1-11(15(20-2)21-3)14(18)17-13(10-22-16(17)19)9-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyUNFPVMFZVNLPSW-YPMHNXCESA-N
MW307.35 g/mol
LogP1.83
Rot. Bonds6

About (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 14783203) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID14783203
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESCOC(OC)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO5/c1-11(15(20-2)21-3)14(18)17-13(10-22-16(17)19)9-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyUNFPVMFZVNLPSW-YPMHNXCESA-N
XLogP1.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 14783203) is (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is COC(OC)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is UNFPVMFZVNLPSW-YPMHNXCESA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(15(20-2)21-3)14(18)17-13(10-22-16(17)19)9-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14783203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).