3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C28H37NO7 — CID 5080615

IUPAC3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOC(C(=O)N1C(=O)OC(c2ccccc2)C1C)C1OC(=CCCCCCCCCCO)C=CC1=O
InChIInChI=1S/C28H37NO7/c1-20-24(21-14-10-9-11-15-21)36-28(33)29(20)27(32)26(34-2)25-23(31)18-17-22(35-25)16-12-7-5-3-4-6-8-13-19-30/h9-11,14-18,20,24-26,30H,3-8,12-13,19H2,1-2H3
InChIKeyRWFHSFCYUUZPMJ-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.63
Rot. Bonds13

About 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 5080615) has the molecular formula C28H37NO7 and a molecular weight of 499.60 g/mol. Its IUPAC name is 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID5080615
Molecular FormulaC28H37NO7
Molecular Weight499.60 g/mol
Exact Mass499.26
IUPAC Name3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOC(C(=O)N1C(=O)OC(c2ccccc2)C1C)C1OC(=CCCCCCCCCCO)C=CC1=O
InChIInChI=1S/C28H37NO7/c1-20-24(21-14-10-9-11-15-21)36-28(33)29(20)27(32)26(34-2)25-23(31)18-17-22(35-25)16-12-7-5-3-4-6-8-13-19-30/h9-11,14-18,20,24-26,30H,3-8,12-13,19H2,1-2H3
InChIKeyRWFHSFCYUUZPMJ-UHFFFAOYSA-N
XLogP4.63
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-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

(4S,5R)-3-[(2S)-2-[(2S)-6-[3-(2-hydroxyethoxy)propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 6667770
(4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 23307612
(4R,5S)-3-[(2R)-2-[(2R)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 6667912
(4S,5R)-3-[(2S)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 6709560
(4S)-3-[(2S)-2-[(2R)-6-(6-hydroxyhexylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23307597
(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6708987
(4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 6667795
4-benzyl-3-[2-[6-(6-hydroxyhexylidene)-3-oxopyran-2-yl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 5243031
3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 4091088
(4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one
CID 23307715
(4R,5S)-3-[(2R)-2-[(2R,6S)-5-bromo-6-hydroxy-6-[3-(2-hydroxyethoxy)propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 6667811
(4S)-3-[(2S)-2-[(2R)-6-(6-hydroxyhexylidene)-3-oxopyran-2-yl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23307555

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 5080615) is 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is COC(C(=O)N1C(=O)OC(c2ccccc2)C1C)C1OC(=CCCCCCCCCCO)C=CC1=O.
What is the InChIKey of 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RWFHSFCYUUZPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO7/c1-20-24(21-14-10-9-11-15-21)36-28(33)29(20)27(32)26(34-2)25-23(31)18-17-22(35-25)16-12-7-5-3-4-6-8-13-19-30/h9-11,14-18,20,24-26,30H,3-8,12-13,19H2,1-2H3.
What are the key properties of 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 499.60 g/mol, XLogP of 4.63, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 5080615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).