(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C22H25NO4 — CID 10522990

IUPAC(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H25NO4/c1-3-10-18(24)15(2)21(25)23-19(16-11-6-4-7-12-16)20(27-22(23)26)17-13-8-5-9-14-17/h4-9,11-15,18-20,24H,3,10H2,1-2H3/t15-,18+,19-,20+/m1/s1
InChIKeyPPZJRSXEEVGORX-NMLACTOBSA-N
MW367.44 g/mol
LogP4.24
Rot. Bonds6

About (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 10522990) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID10522990
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H25NO4/c1-3-10-18(24)15(2)21(25)23-19(16-11-6-4-7-12-16)20(27-22(23)26)17-13-8-5-9-14-17/h4-9,11-15,18-20,24H,3,10H2,1-2H3/t15-,18+,19-,20+/m1/s1
InChIKeyPPZJRSXEEVGORX-NMLACTOBSA-N
XLogP4.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
(4R,5S)-3-[(2S,3R)-3-fluoro-2-methylhexadecanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16720436
(4R,5S)-3-[(2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11176533
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10936532
(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 69090577
(4R,5S)-4,5-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 10690444
3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]hexanenitrile
CID 118499354
2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
CID 142774649
(4R,5S)-3-[(2R)-2-hydroxypent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13461729
(4R,5S)-4-methyl-3-[(4S)-4-methylhexanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57040880
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 10522990) is (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one is CCC[C@H](O)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is PPZJRSXEEVGORX-NMLACTOBSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-10-18(24)15(2)21(25)23-19(16-11-6-4-7-12-16)20(27-22(23)26)17-13-8-5-9-14-17/h4-9,11-15,18-20,24H,3,10H2,1-2H3/t15-,18+,19-,20+/m1/s1.
What are the key properties of (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 367.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10522990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).