(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

C21H20N2O4 — CID 142338207

IUPAC(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1C[C@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)CN1c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-19-12-16(13-22(19)17-9-5-2-6-10-17)20(25)23-18(14-27-21(23)26)11-15-7-3-1-4-8-15/h1-10,16,18H,11-14H2/t16-,18+/m0/s1
InChIKeySCRUWYLHMRVJPT-FUHWJXTLSA-N
MW364.40 g/mol
LogP2.63
Rot. Bonds4

About (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 142338207) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID142338207
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1C[C@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)CN1c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-19-12-16(13-22(19)17-9-5-2-6-10-17)20(25)23-18(14-27-21(23)26)11-15-7-3-1-4-8-15/h1-10,16,18H,11-14H2/t16-,18+/m0/s1
InChIKeySCRUWYLHMRVJPT-FUHWJXTLSA-N
XLogP2.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-benzyl-3-[(3S)-1-benzylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 142014992
(4R)-3-[(3S)-1-azidophosphanyl-5-oxopyrrolidine-3-carbonyl]-4-benzyl-1,3-oxazolidin-2-one
CID 89475341
(4S)-4-benzyl-3-[(1S)-3-methylidenecyclopentanecarbonyl]-1,3-oxazolidin-2-one
CID 142165952
(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 71287812
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CID 71223089
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
(4S)-4-benzyl-3-[(3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 71287772
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (CID 142338207) is (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is O=C1C[C@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)CN1c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is SCRUWYLHMRVJPT-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19-12-16(13-22(19)17-9-5-2-6-10-17)20(25)23-18(14-27-21(23)26)11-15-7-3-1-4-8-15/h1-10,16,18H,11-14H2/t16-,18+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 364.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142338207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).