(4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

C20H21NO5 — CID 15061354

IUPAC(4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C20H21NO5/c1-24-17-9-15(10-18(12-17)25-2)11-19(22)21-16(13-26-20(21)23)8-14-6-4-3-5-7-14/h3-7,9-10,12,16H,8,11,13H2,1-2H3/t16-/m0/s1
InChIKeyUIQJYHSYPIJGID-INIZCTEOSA-N
MW355.39 g/mol
LogP2.84
Rot. Bonds6

About (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 15061354) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID15061354
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C20H21NO5/c1-24-17-9-15(10-18(12-17)25-2)11-19(22)21-16(13-26-20(21)23)8-14-6-4-3-5-7-14/h3-7,9-10,12,16H,8,11,13H2,1-2H3/t16-/m0/s1
InChIKeyUIQJYHSYPIJGID-INIZCTEOSA-N
XLogP2.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (CID 15061354) is (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is COc1cc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc(OC)c1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is UIQJYHSYPIJGID-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-17-9-15(10-18(12-17)25-2)11-19(22)21-16(13-26-20(21)23)8-14-6-4-3-5-7-14/h3-7,9-10,12,16H,8,11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 355.39 g/mol, XLogP of 2.84, 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-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15061354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).