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

C24H26N2O6 — CID 71287812

IUPAC(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C[C@@H](C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)CC2=O)c(OC)c1
InChIInChI=1S/C24H26N2O6/c1-30-20-9-8-17(21(12-20)31-2)13-25-14-18(11-22(25)27)23(28)26-19(15-32-24(26)29)10-16-6-4-3-5-7-16/h3-9,12,18-19H,10-11,13-15H2,1-2H3/t18-,19+/m0/s1
InChIKeyJENABIOOVNIUTR-RBUKOAKNSA-N
MW438.48 g/mol
LogP2.64
Rot. Bonds7

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

(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 71287812) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID71287812
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C[C@@H](C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)CC2=O)c(OC)c1
InChIInChI=1S/C24H26N2O6/c1-30-20-9-8-17(21(12-20)31-2)13-25-14-18(11-22(25)27)23(28)26-19(15-32-24(26)29)10-16-6-4-3-5-7-16/h3-9,12,18-19H,10-11,13-15H2,1-2H3/t18-,19+/m0/s1
InChIKeyJENABIOOVNIUTR-RBUKOAKNSA-N
XLogP2.64
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (CID 71287812) is (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is COc1ccc(CN2C[C@@H](C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)CC2=O)c(OC)c1.
What is the InChIKey of (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is JENABIOOVNIUTR-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-30-20-9-8-17(21(12-20)31-2)13-25-14-18(11-22(25)27)23(28)26-19(15-32-24(26)29)10-16-6-4-3-5-7-16/h3-9,12,18-19H,10-11,13-15H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 438.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71287812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).