[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate

C28H27NO5 — CID 129085691

IUPAC[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(CC(=O)N3C(=O)OC[C@H]3Cc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C28H27NO5/c1-19-8-13-25(20(2)14-19)27(31)33-17-23-11-9-22(10-12-23)16-26(30)29-24(18-34-28(29)32)15-21-6-4-3-5-7-21/h3-14,24H,15-18H2,1-2H3/t24-/m1/s1
InChIKeyWNSAABHLDXNBNJ-XMMPIXPASA-N
MW457.53 g/mol
LogP4.79
Rot. Bonds7

About [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate

[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate (PubChem CID 129085691) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate
PubChem CID129085691
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(CC(=O)N3C(=O)OC[C@H]3Cc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C28H27NO5/c1-19-8-13-25(20(2)14-19)27(31)33-17-23-11-9-22(10-12-23)16-26(30)29-24(18-34-28(29)32)15-21-6-4-3-5-7-21/h3-14,24H,15-18H2,1-2H3/t24-/m1/s1
InChIKeyWNSAABHLDXNBNJ-XMMPIXPASA-N
XLogP4.79
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate?
The IUPAC name of [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate (CID 129085691) is [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate.
What is the SMILES notation for [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate?
The canonical SMILES for [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate is Cc1ccc(C(=O)OCc2ccc(CC(=O)N3C(=O)OC[C@H]3Cc3ccccc3)cc2)c(C)c1.
What is the InChIKey of [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate?
The InChIKey is WNSAABHLDXNBNJ-XMMPIXPASA-N. The full InChI is InChI=1S/C28H27NO5/c1-19-8-13-25(20(2)14-19)27(31)33-17-23-11-9-22(10-12-23)16-26(30)29-24(18-34-28(29)32)15-21-6-4-3-5-7-21/h3-14,24H,15-18H2,1-2H3/t24-/m1/s1.
What are the key properties of [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate?
[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate has a molecular weight of 457.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate is sourced from PubChem (CID 129085691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).