(4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one

C26H33NO4 — CID 10928002

IUPAC(4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H](C)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C26H33NO4/c1-3-4-5-8-13-19(2)23(24(28)21-16-11-7-12-17-21)25(29)27-22(18-31-26(27)30)20-14-9-6-10-15-20/h6-7,9-12,14-17,19,22-24,28H,3-5,8,13,18H2,1-2H3/t19-,22+,23-,24+/m1/s1
InChIKeySUUIAINZNYHJEQ-GOUWZUTHSA-N
MW423.55 g/mol
LogP5.66
Rot. Bonds10

About (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10928002) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10928002
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name(4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H](C)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C26H33NO4/c1-3-4-5-8-13-19(2)23(24(28)21-16-11-7-12-17-21)25(29)27-22(18-31-26(27)30)20-14-9-6-10-15-20/h6-7,9-12,14-17,19,22-24,28H,3-5,8,13,18H2,1-2H3/t19-,22+,23-,24+/m1/s1
InChIKeySUUIAINZNYHJEQ-GOUWZUTHSA-N
XLogP5.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10928002) is (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one is CCCCCC[C@@H](C)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SUUIAINZNYHJEQ-GOUWZUTHSA-N. The full InChI is InChI=1S/C26H33NO4/c1-3-4-5-8-13-19(2)23(24(28)21-16-11-7-12-17-21)25(29)27-22(18-31-26(27)30)20-14-9-6-10-15-20/h6-7,9-12,14-17,19,22-24,28H,3-5,8,13,18H2,1-2H3/t19-,22+,23-,24+/m1/s1.
What are the key properties of (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 423.55 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10928002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).