5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

C23H20N2O4 — CID 56673040

IUPAC5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(NN2C(=O)OC(C)(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C23H20N2O4/c1-16-8-12-18(13-9-16)24-25-21(26)23(2,29-22(25)27)17-10-14-20(15-11-17)28-19-6-4-3-5-7-19/h3-15,24H,1-2H3
InChIKeyDARAPCIVNAQOGK-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.01
Rot. Bonds5

About 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 56673040) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID56673040
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(NN2C(=O)OC(C)(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C23H20N2O4/c1-16-8-12-18(13-9-16)24-25-21(26)23(2,29-22(25)27)17-10-14-20(15-11-17)28-19-6-4-3-5-7-19/h3-15,24H,1-2H3
InChIKeyDARAPCIVNAQOGK-UHFFFAOYSA-N
XLogP5.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (CID 56673040) is 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is Cc1ccc(NN2C(=O)OC(C)(c3ccc(Oc4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is DARAPCIVNAQOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16-8-12-18(13-9-16)24-25-21(26)23(2,29-22(25)27)17-10-14-20(15-11-17)28-19-6-4-3-5-7-19/h3-15,24H,1-2H3.
What are the key properties of 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 388.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 56673040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).