(4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H27NO4 — CID 11811024

IUPAC(4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H27NO4/c1-17(2)21-16-28-23(26)24(21)22(25)20(13-18-9-5-3-6-10-18)15-27-14-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3/t20-,21-/m0/s1
InChIKeyMXGIORXXUUQOIY-SFTDATJTSA-N
MW381.47 g/mol
LogP4.07
Rot. Bonds8

About (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11811024) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11811024
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H27NO4/c1-17(2)21-16-28-23(26)24(21)22(25)20(13-18-9-5-3-6-10-18)15-27-14-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3/t20-,21-/m0/s1
InChIKeyMXGIORXXUUQOIY-SFTDATJTSA-N
XLogP4.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(+)-Benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46866293
2-Fluorobenzyl (2-oxo-4-phenyl-1-pyrrolidinyl)acetate
CID 2943317
Benzyl 1-acetyl-2-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 46884563
Benzyl 1-acetyl-2-(4-methylbenzyl)pyrrolidine-2-carboxylate
CID 46884615
Benzyl 1-acetyl-2-(4-fluorobenzyl)pyrrolidine-2-carboxylate
CID 46884646
2-Benzyl 1-methyl 2-benzylpyrrolidine-1,2-dicarboxylate
CID 46884738
Benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 46884741
4-Methylbenzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884870
benzyl (2R)-1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 70683687
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
Benzyl 1-acetyl-2-phenethylpyrrolidine-2-carboxylate
CID 46884561

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11811024) is (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1C(=O)[C@H](COCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MXGIORXXUUQOIY-SFTDATJTSA-N. The full InChI is InChI=1S/C23H27NO4/c1-17(2)21-16-28-23(26)24(21)22(25)20(13-18-9-5-3-6-10-18)15-27-14-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 381.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S)-2-benzyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11811024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).