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

C19H27NO4 — CID 10936532

IUPAC(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO4/c1-3-4-5-9-12-17(21)14(2)18(22)20-16(13-24-19(20)23)15-10-7-6-8-11-15/h6-8,10-11,14,16-17,21H,3-5,9,12-13H2,1-2H3/t14-,16+,17+/m1/s1
InChIKeyIDJNJSLPLKUKRI-PVAVHDDUSA-N
MW333.43 g/mol
LogP3.67
Rot. Bonds8

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

(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10936532) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10936532
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO4/c1-3-4-5-9-12-17(21)14(2)18(22)20-16(13-24-19(20)23)15-10-7-6-8-11-15/h6-8,10-11,14,16-17,21H,3-5,9,12-13H2,1-2H3/t14-,16+,17+/m1/s1
InChIKeyIDJNJSLPLKUKRI-PVAVHDDUSA-N
XLogP3.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.67
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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Related Compounds

(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-6-phenylmethoxyhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102386100
4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyldecanoyl]-1,3-oxazolidin-2-one
CID 129245127
(4S)-3-[(2S)-2-[(1R)-1-hydroxyethyl]hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134837890
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 144592023
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one;methanol
CID 144592022
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
3-(2-methylhept-4-ynoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 123161521
(4S)-4-phenyl-3-[(2R,3S,5S)-2,3,5-trimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one
CID 11384699
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10936532) is (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one is CCCCCC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IDJNJSLPLKUKRI-PVAVHDDUSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-4-5-9-12-17(21)14(2)18(22)20-16(13-24-19(20)23)15-10-7-6-8-11-15/h6-8,10-11,14,16-17,21H,3-5,9,12-13H2,1-2H3/t14-,16+,17+/m1/s1.
What are the key properties of (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10936532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).