3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene

C25H26N2O4 — CID 144917362

IUPAC3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene
SMILESCOc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)cn1.Cc1ccccc1
InChIInChI=1S/C18H18N2O4.C7H8/c1-23-16-9-7-13(11-19-16)8-10-17(21)20-15(12-24-18(20)22)14-5-3-2-4-6-14;1-7-5-3-2-4-6-7/h2-7,9,11,15H,8,10,12H2,1H3;2-6H,1H3
InChIKeyIIMCDFRYXFGEML-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.74
Rot. Bonds5

About 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene

3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene (PubChem CID 144917362) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene
PubChem CID144917362
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene
SMILESCOc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)cn1.Cc1ccccc1
InChIInChI=1S/C18H18N2O4.C7H8/c1-23-16-9-7-13(11-19-16)8-10-17(21)20-15(12-24-18(20)22)14-5-3-2-4-6-14;1-7-5-3-2-4-6-7/h2-7,9,11,15H,8,10,12H2,1H3;2-6H,1H3
InChIKeyIIMCDFRYXFGEML-UHFFFAOYSA-N
XLogP4.74
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138546991
4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
CID 144785898
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70944339
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde
CID 171818066
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 46932815
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one
CID 174059847
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102004114
(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 177477098

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene (CID 144917362) is 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene is COc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)cn1.Cc1ccccc1.
What is the InChIKey of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene?
The InChIKey is IIMCDFRYXFGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4.C7H8/c1-23-16-9-7-13(11-19-16)8-10-17(21)20-15(12-24-18(20)22)14-5-3-2-4-6-14;1-7-5-3-2-4-6-7/h2-7,9,11,15H,8,10,12H2,1H3;2-6H,1H3.
What are the key properties of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene?
3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene has a molecular weight of 418.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 144917362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).