3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one

C22H25NO5 — CID 162786028

IUPAC3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(OC)c1C(CCCc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C22H25NO5/c1-26-18-12-7-13-19(27-2)20(18)17(21(24)23-14-15-28-22(23)25)11-6-10-16-8-4-3-5-9-16/h3-5,7-9,12-13,17H,6,10-11,14-15H2,1-2H3
InChIKeyGXNWYAKLNZFZNR-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.79
Rot. Bonds8

About 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one

3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 162786028) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID162786028
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(OC)c1C(CCCc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C22H25NO5/c1-26-18-12-7-13-19(27-2)20(18)17(21(24)23-14-15-28-22(23)25)11-6-10-16-8-4-3-5-9-16/h3-5,7-9,12-13,17H,6,10-11,14-15H2,1-2H3
InChIKeyGXNWYAKLNZFZNR-UHFFFAOYSA-N
XLogP3.79
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
3-[2-(2,4-ditert-butyl-6-methoxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 162733889
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
CID 137468469
3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437
3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 71615334
3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one
CID 86223144
(2S)-2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-phenylpentanamide
CID 97258741
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
3-(2-oxo-5-phenylpentyl)-1,3-oxazolidin-2-one
CID 158303526

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one (CID 162786028) is 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one is COc1cccc(OC)c1C(CCCc1ccccc1)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is GXNWYAKLNZFZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-26-18-12-7-13-19(27-2)20(18)17(21(24)23-14-15-28-22(23)25)11-6-10-16-8-4-3-5-9-16/h3-5,7-9,12-13,17H,6,10-11,14-15H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one?
3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 383.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162786028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).