methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate

C19H19NO5 — CID 138978447

IUPACmethyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2COC(=O)N2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-23-16-9-3-13(4-10-16)11-20-17(12-25-19(20)22)14-5-7-15(8-6-14)18(21)24-2/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyQWLARJXBGLPKJI-KRWDZBQOSA-N
MW341.36 g/mol
LogP3.18
Rot. Bonds5

About methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate

methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate (PubChem CID 138978447) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate
PubChem CID138978447
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2COC(=O)N2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-23-16-9-3-13(4-10-16)11-20-17(12-25-19(20)22)14-5-7-15(8-6-14)18(21)24-2/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyQWLARJXBGLPKJI-KRWDZBQOSA-N
XLogP3.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate with MolForge

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Related Compounds

3-Pyrrolidinecarboxylic acid, 1-(4-methoxybenzoyl)-2-oxo-4-phenyl-, ethyl ester
CID 2842756
A-349821 free base
CID 9954017
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CID 2766023
1-(4-Methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 44275443
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 44275508
[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]methanone
CID 44275553
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N,N-diethylbenzamide
CID 44275619
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N-propan-2-ylbenzamide
CID 44275761
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 44275793
[3-(4-Methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 1104784

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate?
The IUPAC name of methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate (CID 138978447) is methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate.
What is the SMILES notation for methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate?
The canonical SMILES for methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate is COC(=O)c1ccc([C@@H]2COC(=O)N2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate?
The InChIKey is QWLARJXBGLPKJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO5/c1-23-16-9-3-13(4-10-16)11-20-17(12-25-19(20)22)14-5-7-15(8-6-14)18(21)24-2/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate?
methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate has a molecular weight of 341.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]benzoate is sourced from PubChem (CID 138978447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).