2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one

C19H21NO4 — CID 13095133

IUPAC2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one
SMILESCOc1ccc(CN2C(=O)C(C)OC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13-18(21)20(12-14-4-8-16(22-2)9-5-14)19(24-13)15-6-10-17(23-3)11-7-15/h4-11,13,19H,12H2,1-3H3
InChIKeyGVVZLGPXGUVCON-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one

2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one (PubChem CID 13095133) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one
PubChem CID13095133
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one
SMILESCOc1ccc(CN2C(=O)C(C)OC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13-18(21)20(12-14-4-8-16(22-2)9-5-14)19(24-13)15-6-10-17(23-3)11-7-15/h4-11,13,19H,12H2,1-3H3
InChIKeyGVVZLGPXGUVCON-UHFFFAOYSA-N
XLogP3.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one (CID 13095133) is 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one is COc1ccc(CN2C(=O)C(C)OC2c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one?
The InChIKey is GVVZLGPXGUVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-18(21)20(12-14-4-8-16(22-2)9-5-14)19(24-13)15-6-10-17(23-3)11-7-15/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one?
2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 13095133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).