3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid

C23H18N2O6 — CID 56662716

IUPAC3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2cccc(C(=O)O)c2)C1=O
InChIInChI=1S/C23H18N2O6/c1-23(16-10-12-19(13-11-16)30-18-8-3-2-4-9-18)21(28)25(22(29)31-23)24-17-7-5-6-15(14-17)20(26)27/h2-14,24H,1H3,(H,26,27)
InChIKeyCZUIQZMZFALDNR-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.40
Rot. Bonds6

About 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid

3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid (PubChem CID 56662716) has the molecular formula C23H18N2O6 and a molecular weight of 418.41 g/mol. Its IUPAC name is 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid
PubChem CID56662716
Molecular FormulaC23H18N2O6
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC Name3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2cccc(C(=O)O)c2)C1=O
InChIInChI=1S/C23H18N2O6/c1-23(16-10-12-19(13-11-16)30-18-8-3-2-4-9-18)21(28)25(22(29)31-23)24-17-7-5-6-15(14-17)20(26)27/h2-14,24H,1H3,(H,26,27)
InChIKeyCZUIQZMZFALDNR-UHFFFAOYSA-N
XLogP4.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
The IUPAC name of 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid (CID 56662716) is 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid.
What is the SMILES notation for 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
The canonical SMILES for 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid is CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2cccc(C(=O)O)c2)C1=O.
What is the InChIKey of 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
The InChIKey is CZUIQZMZFALDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6/c1-23(16-10-12-19(13-11-16)30-18-8-3-2-4-9-18)21(28)25(22(29)31-23)24-17-7-5-6-15(14-17)20(26)27/h2-14,24H,1H3,(H,26,27).
What are the key properties of 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid has a molecular weight of 418.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid is sourced from PubChem (CID 56662716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).