3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C19H19NO4 — CID 166438672

IUPAC3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(Cc2ccccc2)C(=O)N2CCOC2=O)cc1
InChIInChI=1S/C19H19NO4/c1-23-16-9-7-15(8-10-16)17(13-14-5-3-2-4-6-14)18(21)20-11-12-24-19(20)22/h2-10,17H,11-13H2,1H3
InChIKeyRRRPZRSQUYPWMG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.00
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 166438672) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID166438672
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(Cc2ccccc2)C(=O)N2CCOC2=O)cc1
InChIInChI=1S/C19H19NO4/c1-23-16-9-7-15(8-10-16)17(13-14-5-3-2-4-6-14)18(21)20-11-12-24-19(20)22/h2-10,17H,11-13H2,1H3
InChIKeyRRRPZRSQUYPWMG-UHFFFAOYSA-N
XLogP3.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 3946238
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentanecarboxamide
CID 976659
2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
3-(4-Heptyloxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3095544
1-Methyl-3-[4-(3-methylbutoxy)phenyl]pyrrolidine-2,5-dione
CID 3100539
3-(4-Isopropoxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3105271
3-(4-Isopropoxyphenyl)-4-methyl-1-morpholinopentan-1-one
CID 3365865
3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2878572
1-(Pyrrolidin-1-YL)propan-2-YL 2-(4-methoxyphenyl)acetate hydrochloride
CID 6603063
1-(2-Cyclohexyl-2-oxo-acetyl)-piperidine-2-carboxylic acid 4-(4-methoxy-phenyl)-butyl ester
CID 15380472
3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573197

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 166438672) is 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one is COc1ccc(C(Cc2ccccc2)C(=O)N2CCOC2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RRRPZRSQUYPWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-16-9-7-15(8-10-16)17(13-14-5-3-2-4-6-14)18(21)20-11-12-24-19(20)22/h2-10,17H,11-13H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 325.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166438672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).