(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one

C23H27NO4 — CID 10809871

IUPAC(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1C(=O)[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-23(2,3)19-15-28-22(27)24(19)21(26)18(14-16-10-6-4-7-11-16)20(25)17-12-8-5-9-13-17/h4-13,18-20,25H,14-15H2,1-3H3/t18-,19-,20+/m1/s1
InChIKeyONNPGPYCHLVMSU-AQNXPRMDSA-N
MW381.47 g/mol
LogP3.97
Rot. Bonds5

About (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one (PubChem CID 10809871) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
PubChem CID10809871
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1C(=O)[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-23(2,3)19-15-28-22(27)24(19)21(26)18(14-16-10-6-4-7-11-16)20(25)17-12-8-5-9-13-17/h4-13,18-20,25H,14-15H2,1-3H3/t18-,19-,20+/m1/s1
InChIKeyONNPGPYCHLVMSU-AQNXPRMDSA-N
XLogP3.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(2R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-tert-butyl-4-oxobutanoic acid
CID 175148741
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
tert-butyl 4-methyl-2-[(2R)-1-oxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-phenylpropan-2-yl]pentanoate
CID 102516317
(2R,3S)-2-benzyl-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one
CID 135054585
tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate
CID 22842640
(4R)-4-benzyl-3-[(2S,3S)-2-benzyl-4-(benzylamino)-3-hydroxybutanoyl]-1,3-oxazolidin-2-one
CID 67877117
(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one
CID 101342379

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one (CID 10809871) is (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one is CC(C)(C)[C@H]1COC(=O)N1C(=O)[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
The InChIKey is ONNPGPYCHLVMSU-AQNXPRMDSA-N. The full InChI is InChI=1S/C23H27NO4/c1-23(2,3)19-15-28-22(27)24(19)21(26)18(14-16-10-6-4-7-11-16)20(25)17-12-8-5-9-13-17/h4-13,18-20,25H,14-15H2,1-3H3/t18-,19-,20+/m1/s1.
What are the key properties of (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one has a molecular weight of 381.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10809871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).