(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one

C22H33NO3 — CID 91025395

IUPAC(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)CCC[C@@H](C)C[C@@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C22H33NO3/c1-15(2)10-9-11-16(3)14-17(4)21(24)23-18(5)20(26-22(23)25)19-12-7-6-8-13-19/h6-8,12-13,15-18,20H,9-11,14H2,1-5H3/t16-,17-,18-,20+/m1/s1
InChIKeyHLKOOPVBWKKFAQ-MLYOOKFZSA-N
MW359.51 g/mol
LogP5.58
Rot. Bonds8

About (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one

(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one (PubChem CID 91025395) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one
PubChem CID91025395
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)CCC[C@@H](C)C[C@@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C22H33NO3/c1-15(2)10-9-11-16(3)14-17(4)21(24)23-18(5)20(26-22(23)25)19-12-7-6-8-13-19/h6-8,12-13,15-18,20H,9-11,14H2,1-5H3/t16-,17-,18-,20+/m1/s1
InChIKeyHLKOOPVBWKKFAQ-MLYOOKFZSA-N
XLogP5.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 69090577
4-methyl-3-(2-methylhept-4-ynoyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14470147
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
(3S,5S)-5-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]heptanoic acid
CID 70989439
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
CID 142774649
(4R,5S)-4-methyl-3-[(4S)-4-methylhexanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57040880
(4R,5S)-3-[(2S,3R)-3-fluoro-2-methylhexadecanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16720436
(4R,5S)-4-methyl-3-[(2S)-2-phenoxypropanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 139070120
(4S,5R)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135055387
(4R,5S)-3-[(2R)-2-hydroxypent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13461729
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one (CID 91025395) is (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one is CC(C)CCC[C@@H](C)C[C@@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HLKOOPVBWKKFAQ-MLYOOKFZSA-N. The full InChI is InChI=1S/C22H33NO3/c1-15(2)10-9-11-16(3)14-17(4)21(24)23-18(5)20(26-22(23)25)19-12-7-6-8-13-19/h6-8,12-13,15-18,20H,9-11,14H2,1-5H3/t16-,17-,18-,20+/m1/s1.
What are the key properties of (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one?
(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 359.51 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91025395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).