(4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C28H28N2O4 — CID 11547028

IUPAC(4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC[C@@](Cc3ccccc3)(N3C(=O)OC[C@@H]3c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-33-24-14-12-22(13-15-24)19-29-17-16-28(26(29)31,18-21-8-4-2-5-9-21)30-25(20-34-27(30)32)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3/t25-,28+/m1/s1
InChIKeyWKCIPKUAKIDGJG-NAKRPHOHSA-N
MW456.54 g/mol
LogP4.60
Rot. Bonds7

About (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11547028) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11547028
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name(4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC[C@@](Cc3ccccc3)(N3C(=O)OC[C@@H]3c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-33-24-14-12-22(13-15-24)19-29-17-16-28(26(29)31,18-21-8-4-2-5-9-21)30-25(20-34-27(30)32)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3/t25-,28+/m1/s1
InChIKeyWKCIPKUAKIDGJG-NAKRPHOHSA-N
XLogP4.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (6Z)-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylate
CID 16746451
(1R,2S,6R,7S)-1-benzyl-4-ethyl-11-(2-methoxyethyl)-7-(4-methoxyphenyl)-4,8,11-triazatricyclo[6.4.0.02,6]dodecane-3,5,9,12-tetrone
CID 23731365
methyl (2S,4R)-1-(2,2-diphenylethyl)-4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carboxylate
CID 45488418
Benzyl 1-acetyl-2-(4-methoxybenzyl)pyrrolidine-2-carboxylate
CID 46884616
(5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71727734
(2R,3R,4S)-2-(4-Methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-4-phenyl-pyrrolidine-3-carboxylic acid
CID 10549516
Ethyl 2-{benzyl[(cyclohexylcarbamoyl)(4-methoxyphenyl)methyl]amino}acetate
CID 15987591
(1R,2S,6R,7S)-4-ethyl-11-(2-methoxyethyl)-7-(4-methoxyphenyl)-1-methyl-4,8,11-triazatricyclo[6.4.0.02,6]dodecane-3,5,9,12-tetrone
CID 23731359
CR 612
CID 42232
Cambridge id 6641947
CID 2907839
(3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one
CID 56640987
N-(4-methoxybenzyl)-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 72849328

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 11547028) is (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc(CN2CC[C@@](Cc3ccccc3)(N3C(=O)OC[C@@H]3c3ccccc3)C2=O)cc1.
What is the InChIKey of (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WKCIPKUAKIDGJG-NAKRPHOHSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-33-24-14-12-22(13-15-24)19-29-17-16-28(26(29)31,18-21-8-4-2-5-9-21)30-25(20-34-27(30)32)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3/t25-,28+/m1/s1.
What are the key properties of (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 456.54 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11547028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).