(4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

C20H21NO4 — CID 101498698

IUPAC(4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-24-18-10-7-15(8-11-18)9-12-19(22)21-17(14-25-20(21)23)13-16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3/t17-/m1/s1
InChIKeyAJROXBKYTJNBPG-QGZVFWFLSA-N
MW339.39 g/mol
LogP3.22
Rot. Bonds6

About (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 101498698) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID101498698
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-24-18-10-7-15(8-11-18)9-12-19(22)21-17(14-25-20(21)23)13-16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3/t17-/m1/s1
InChIKeyAJROXBKYTJNBPG-QGZVFWFLSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 4-(4-methoxy-phenyl)-butyl ester
CID 15380476
3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 3946238
N-Acetyl-O-benzyl-L-tyrosine
CID 71454723
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556394
2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 4590252
1-(Pyrrolidin-1-YL)propan-2-YL 2-(4-methoxyphenyl)acetate hydrochloride
CID 6603063
6-[(4-Methoxyphenyl)acetyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 3534130
N-Hydroxy-4-(4-methoxy-phenyl)-N-phenethyl-butyramide
CID 14406214
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 4-(4-methoxy-phenyl)-butyl ester
CID 15380467

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 101498698) is (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is COc1ccc(CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is AJROXBKYTJNBPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-18-10-7-15(8-11-18)9-12-19(22)21-17(14-25-20(21)23)13-16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101498698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).