(4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

C23H24N2O6 — CID 71287772

IUPAC(4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(O)ccc1CN1C[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)CC1=O
InChIInChI=1S/C23H24N2O6/c1-30-20-11-19(26)8-7-16(20)12-24-13-17(10-21(24)27)22(28)25-18(14-31-23(25)29)9-15-5-3-2-4-6-15/h2-8,11,17-18,26H,9-10,12-14H2,1H3/t17-,18-/m0/s1
InChIKeyAZSJHKIDFVGFMZ-ROUUACIJSA-N
MW424.45 g/mol
LogP2.34
Rot. Bonds6

About (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 71287772) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID71287772
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name(4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(O)ccc1CN1C[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)CC1=O
InChIInChI=1S/C23H24N2O6/c1-30-20-11-19(26)8-7-16(20)12-24-13-17(10-21(24)27)22(28)25-18(14-31-23(25)29)9-15-5-3-2-4-6-15/h2-8,11,17-18,26H,9-10,12-14H2,1H3/t17-,18-/m0/s1
InChIKeyAZSJHKIDFVGFMZ-ROUUACIJSA-N
XLogP2.34
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 71287812
(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 142338207
4-(4-benzyl-2-oxooxolane-3-carbonyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 155164024
(4S)-4-benzyl-3-[(3S)-1-benzylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 142014992
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 15180731
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
(4R)-3-[(3S)-1-azidophosphanyl-5-oxopyrrolidine-3-carbonyl]-4-benzyl-1,3-oxazolidin-2-one
CID 89475341
4-benzyl-3-[4-(4-methoxynaphthalen-1-yl)butanoyl]-1,3-oxazolidin-2-one
CID 134346351
(4S)-4-benzyl-3-[(1S)-3-methylidenecyclopentanecarbonyl]-1,3-oxazolidin-2-one
CID 142165952
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (CID 71287772) is (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is COc1cc(O)ccc1CN1C[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)CC1=O.
What is the InChIKey of (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is AZSJHKIDFVGFMZ-ROUUACIJSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-30-20-11-19(26)8-7-16(20)12-24-13-17(10-21(24)27)22(28)25-18(14-31-23(25)29)9-15-5-3-2-4-6-15/h2-8,11,17-18,26H,9-10,12-14H2,1H3/t17-,18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 424.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71287772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).