(4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one

C20H27NO6 — CID 10959786

IUPAC(4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H27NO6/c1-13(17(22)10-16-12-26-20(2,3)27-16)18(23)21-15(11-25-19(21)24)9-14-7-5-4-6-8-14/h4-8,13,15-17,22H,9-12H2,1-3H3/t13-,15-,16+,17+/m1/s1
InChIKeyPWHGRPDWKOWFEO-SIXLDLHFSA-N
MW377.44 g/mol
LogP2.12
Rot. Bonds6

About (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 10959786) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID10959786
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name(4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H27NO6/c1-13(17(22)10-16-12-26-20(2,3)27-16)18(23)21-15(11-25-19(21)24)9-14-7-5-4-6-8-14/h4-8,13,15-17,22H,9-12H2,1-3H3/t13-,15-,16+,17+/m1/s1
InChIKeyPWHGRPDWKOWFEO-SIXLDLHFSA-N
XLogP2.12
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-benzyl-3-[(2R,3R,4S,6S)-3,7-dihydroxy-4-methoxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 137646396
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(4S)-4-benzyl-3-[(2R)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030321
(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030324
(4S)-4-benzyl-3-[(2R)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030325
(4S)-4-Benzyl-3[(2S,3R)-(3-hydroxy-2-methylpentanoyl)]oxazolidin-2-on
CID 11022653
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 11953396
(R)-tert-butyl 4-((1R,2R)-3-((R)-4-benzyl-2-oxooxazolidin-3-yl)-1-hydroxy-2-methyl-3-oxopropyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11953594
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 12099261
(4S)-N-[(2S,4S,5R)-2,4-dimethyl-5-hydroxy-3-oxoheptanoyl]-4-benzyl-2-oxazolidinone
CID 56985563
(4R)-4-benzyl-3-[(2R,3S,4R,6E,8E)-3-hydroxy-2,4-dimethyldeca-6,8-dienoyl]-1,3-oxazolidin-2-one
CID 89857080

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one (CID 10959786) is (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)C[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is PWHGRPDWKOWFEO-SIXLDLHFSA-N. The full InChI is InChI=1S/C20H27NO6/c1-13(17(22)10-16-12-26-20(2,3)27-16)18(23)21-15(11-25-19(21)24)9-14-7-5-4-6-8-14/h4-8,13,15-17,22H,9-12H2,1-3H3/t13-,15-,16+,17+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10959786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).