3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione

C22H18N2O5 — CID 139594453

IUPAC3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Oc3ccc(O)cc3)cc2)OC(=O)N(Nc2ccccc2)C1=O
InChIInChI=1S/C22H18N2O5/c1-22(20(26)24(21(27)29-22)23-16-5-3-2-4-6-16)15-7-11-18(12-8-15)28-19-13-9-17(25)10-14-19/h2-14,23,25H,1H3
InChIKeyBYIITKZCRPXYMJ-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.41
Rot. Bonds5

About 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione

3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 139594453) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID139594453
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Oc3ccc(O)cc3)cc2)OC(=O)N(Nc2ccccc2)C1=O
InChIInChI=1S/C22H18N2O5/c1-22(20(26)24(21(27)29-22)23-16-5-3-2-4-6-16)15-7-11-18(12-8-15)28-19-13-9-17(25)10-14-19/h2-14,23,25H,1H3
InChIKeyBYIITKZCRPXYMJ-UHFFFAOYSA-N
XLogP4.41
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 139594453) is 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is CC1(c2ccc(Oc3ccc(O)cc3)cc2)OC(=O)N(Nc2ccccc2)C1=O.
What is the InChIKey of 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is BYIITKZCRPXYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-22(20(26)24(21(27)29-22)23-16-5-3-2-4-6-16)15-7-11-18(12-8-15)28-19-13-9-17(25)10-14-19/h2-14,23,25H,1H3.
What are the key properties of 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 390.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139594453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).