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

C25H21NO4 — CID 15935410

IUPAC(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C(c1ccccc1)c1cccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)c1
InChIInChI=1S/C25H21NO4/c27-23(26-22(17-30-25(26)29)15-18-8-3-1-4-9-18)16-19-10-7-13-21(14-19)24(28)20-11-5-2-6-12-20/h1-14,22H,15-17H2/t22-/m0/s1
InChIKeyLAVKWUGERHIFMP-QFIPXVFZSA-N
MW399.45 g/mol
LogP4.05
Rot. Bonds6

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

(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 15935410) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
PubChem CID15935410
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C(c1ccccc1)c1cccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)c1
InChIInChI=1S/C25H21NO4/c27-23(26-22(17-30-25(26)29)15-18-8-3-1-4-9-18)16-19-10-7-13-21(14-19)24(28)20-11-5-2-6-12-20/h1-14,22H,15-17H2/t22-/m0/s1
InChIKeyLAVKWUGERHIFMP-QFIPXVFZSA-N
XLogP4.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[2-(4-methoxy-3-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 69145722
(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 167505232
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59315466
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 15180731

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one (CID 15935410) is (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one is O=C(c1ccccc1)c1cccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)c1.
What is the InChIKey of (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is LAVKWUGERHIFMP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21NO4/c27-23(26-22(17-30-25(26)29)15-18-8-3-1-4-9-18)16-19-10-7-13-21(14-19)24(28)20-11-5-2-6-12-20/h1-14,22H,15-17H2/t22-/m0/s1.
What are the key properties of (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one?
(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 399.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15935410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).