(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one

C21H21NO3 — CID 146584444

IUPAC(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CC1CCc2ccccc21)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H21NO3/c23-20(13-17-11-10-16-8-4-5-9-19(16)17)22-18(14-25-21(22)24)12-15-6-2-1-3-7-15/h1-9,17-18H,10-14H2/t17?,18-/m0/s1
InChIKeyOXLFRLVAURGOJW-ZVAWYAOSSA-N
MW335.40 g/mol
LogP3.70
Rot. Bonds4

About (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 146584444) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one
PubChem CID146584444
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CC1CCc2ccccc21)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H21NO3/c23-20(13-17-11-10-16-8-4-5-9-19(16)17)22-18(14-25-21(22)24)12-15-6-2-1-3-7-15/h1-9,17-18H,10-14H2/t17?,18-/m0/s1
InChIKeyOXLFRLVAURGOJW-ZVAWYAOSSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one (CID 146584444) is (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one is O=C(CC1CCc2ccccc21)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is OXLFRLVAURGOJW-ZVAWYAOSSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(13-17-11-10-16-8-4-5-9-19(16)17)22-18(14-25-21(22)24)12-15-6-2-1-3-7-15/h1-9,17-18H,10-14H2/t17?,18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 335.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146584444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).