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

C24H22N2O4 — CID 56673041

IUPAC3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(NN2C(=O)OC(C)(c3ccc(Oc4ccccc4)cc3)C2=O)c(C)c1
InChIInChI=1S/C24H22N2O4/c1-16-9-14-21(17(2)15-16)25-26-22(27)24(3,30-23(26)28)18-10-12-20(13-11-18)29-19-7-5-4-6-8-19/h4-15,25H,1-3H3
InChIKeyKRKGDZRDTZQMKI-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.32
Rot. Bonds5

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

3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 56673041) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID56673041
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(NN2C(=O)OC(C)(c3ccc(Oc4ccccc4)cc3)C2=O)c(C)c1
InChIInChI=1S/C24H22N2O4/c1-16-9-14-21(17(2)15-16)25-26-22(27)24(3,30-23(26)28)18-10-12-20(13-11-18)29-19-7-5-4-6-8-19/h4-15,25H,1-3H3
InChIKeyKRKGDZRDTZQMKI-UHFFFAOYSA-N
XLogP5.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (CID 56673041) is 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is Cc1ccc(NN2C(=O)OC(C)(c3ccc(Oc4ccccc4)cc3)C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is KRKGDZRDTZQMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-9-14-21(17(2)15-16)25-26-22(27)24(3,30-23(26)28)18-10-12-20(13-11-18)29-19-7-5-4-6-8-19/h4-15,25H,1-3H3.
What are the key properties of 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 402.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 56673041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).