(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

C22H32N2O4 — CID 162516189

IUPAC(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)[C@@H]1CCCN1C(C)(C)C
InChIInChI=1S/C22H32N2O4/c1-15(19(25)18-11-8-12-23(18)22(2,3)4)20(26)24-17(14-28-21(24)27)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,25H,8,11-14H2,1-4H3/t15-,17-,18+,19-/m1/s1
InChIKeyOBNWUBBZRCJGHY-OQIJWPOYSA-N
MW388.51 g/mol
LogP2.84
Rot. Bonds5

About (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 162516189) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID162516189
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)[C@@H]1CCCN1C(C)(C)C
InChIInChI=1S/C22H32N2O4/c1-15(19(25)18-11-8-12-23(18)22(2,3)4)20(26)24-17(14-28-21(24)27)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,25H,8,11-14H2,1-4H3/t15-,17-,18+,19-/m1/s1
InChIKeyOBNWUBBZRCJGHY-OQIJWPOYSA-N
XLogP2.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-2-methylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11266657
(4R)-4-benzyl-3-[(2R,3S,5S)-3,5,6-trihydroxy-2-methylhexanoyl]-1,3-oxazolidin-2-one
CID 11782674
(4R)-4-benzyl-3-(4-fluoro-3-hydroxy-2-methylhex-4-enoyl)-1,3-oxazolidin-2-one
CID 57310574
(4R)-4-benzyl-3-[(Z,2S,3R)-4-fluoro-3-hydroxy-2-methylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 67872058
(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 101222413
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 158224516
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 162516189) is (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)[C@@H]1CCCN1C(C)(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is OBNWUBBZRCJGHY-OQIJWPOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15(19(25)18-11-8-12-23(18)22(2,3)4)20(26)24-17(14-28-21(24)27)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,25H,8,11-14H2,1-4H3/t15-,17-,18+,19-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 388.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162516189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).