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

C23H27NO3 — CID 25232465

IUPAC(4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C)[C@@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H27NO3/c1-4-11-16(2)17(3)22(25)24-20(18-12-7-5-8-13-18)21(27-23(24)26)19-14-9-6-10-15-19/h5-10,12-17,20-21H,4,11H2,1-3H3/t16-,17-,20+,21-/m1/s1
InChIKeyRFSKARGRTRFHHW-SGLNWRHMSA-N
MW365.47 g/mol
LogP5.52
Rot. Bonds6

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

(4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 25232465) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID25232465
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C)[C@@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H27NO3/c1-4-11-16(2)17(3)22(25)24-20(18-12-7-5-8-13-18)21(27-23(24)26)19-14-9-6-10-15-19/h5-10,12-17,20-21H,4,11H2,1-3H3/t16-,17-,20+,21-/m1/s1
InChIKeyRFSKARGRTRFHHW-SGLNWRHMSA-N
XLogP5.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 25232465) is (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one is CCC[C@@H](C)[C@@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is RFSKARGRTRFHHW-SGLNWRHMSA-N. The full InChI is InChI=1S/C23H27NO3/c1-4-11-16(2)17(3)22(25)24-20(18-12-7-5-8-13-18)21(27-23(24)26)19-14-9-6-10-15-19/h5-10,12-17,20-21H,4,11H2,1-3H3/t16-,17-,20+,21-/m1/s1.
What are the key properties of (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 365.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(2R,3R)-2,3-dimethylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25232465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).