(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one

C24H29NO4 — CID 90320325

IUPAC(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](OCc1ccccc1)[C@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H29NO4/c1-17(2)22(28-15-20-12-8-5-9-13-20)18(3)23(26)25-21(16-29-24(25)27)14-19-10-6-4-7-11-19/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m0/s1
InChIKeyIIXTXRYPEVCUPK-VLCRHTCISA-N
MW395.50 g/mol
LogP4.45
Rot. Bonds8

About (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one (PubChem CID 90320325) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
PubChem CID90320325
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](OCc1ccccc1)[C@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H29NO4/c1-17(2)22(28-15-20-12-8-5-9-13-20)18(3)23(26)25-21(16-29-24(25)27)14-19-10-6-4-7-11-19/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m0/s1
InChIKeyIIXTXRYPEVCUPK-VLCRHTCISA-N
XLogP4.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one (CID 90320325) is (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one is CC(C)[C@@H](OCc1ccccc1)[C@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is IIXTXRYPEVCUPK-VLCRHTCISA-N. The full InChI is InChI=1S/C24H29NO4/c1-17(2)22(28-15-20-12-8-5-9-13-20)18(3)23(26)25-21(16-29-24(25)27)14-19-10-6-4-7-11-19/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 395.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90320325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).