2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid

C19H25NO5 — CID 142774649

IUPAC2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
SMILESCCCCCCC(C(=O)O)C(=O)N1C(=O)OC(c2ccccc2)C1C
InChIInChI=1S/C19H25NO5/c1-3-4-5-9-12-15(18(22)23)17(21)20-13(2)16(25-19(20)24)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,3-5,9,12H2,1-2H3,(H,22,23)
InChIKeyZUYLIZRUIVSWGH-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.77
Rot. Bonds8

About 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid

2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid (PubChem CID 142774649) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
PubChem CID142774649
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
SMILESCCCCCCC(C(=O)O)C(=O)N1C(=O)OC(c2ccccc2)C1C
InChIInChI=1S/C19H25NO5/c1-3-4-5-9-12-15(18(22)23)17(21)20-13(2)16(25-19(20)24)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,3-5,9,12H2,1-2H3,(H,22,23)
InChIKeyZUYLIZRUIVSWGH-UHFFFAOYSA-N
XLogP3.77
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 69090577
(4R,5S)-3-[(2S,3R)-3-fluoro-2-methylhexadecanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16720436
3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]hexanenitrile
CID 118499354
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5R)-4-methyl-5-phenyl-3-[(2R,4R)-2,4,8-trimethylnonanoyl]-1,3-oxazolidin-2-one
CID 91025395
[(2R)-1-[(4R,5S)-4-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-1-oxohexadecan-2-yl] acetate
CID 11005467
4-methyl-3-(2-methylhept-4-ynoyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14470147
(4S,5R)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135055387
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
(4R,5S)-4-methyl-3-[(4S)-4-methylhexanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57040880
(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 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid?
The IUPAC name of 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid (CID 142774649) is 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid.
What is the SMILES notation for 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid?
The canonical SMILES for 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid is CCCCCCC(C(=O)O)C(=O)N1C(=O)OC(c2ccccc2)C1C.
What is the InChIKey of 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid?
The InChIKey is ZUYLIZRUIVSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-3-4-5-9-12-15(18(22)23)17(21)20-13(2)16(25-19(20)24)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,3-5,9,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid?
2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid has a molecular weight of 347.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid is sourced from PubChem (CID 142774649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).