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

C23H18N2O6 — CID 56662667

IUPAC4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C23H18N2O6/c1-23(16-9-13-19(14-10-16)30-18-5-3-2-4-6-18)21(28)25(22(29)31-23)24-17-11-7-15(8-12-17)20(26)27/h2-14,24H,1H3,(H,26,27)
InChIKeyWXXNFNQJCUQPBK-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.40
Rot. Bonds6

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

4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid (PubChem CID 56662667) has the molecular formula C23H18N2O6 and a molecular weight of 418.41 g/mol. Its IUPAC name is 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid
PubChem CID56662667
Molecular FormulaC23H18N2O6
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC Name4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C23H18N2O6/c1-23(16-9-13-19(14-10-16)30-18-5-3-2-4-6-18)21(28)25(22(29)31-23)24-17-11-7-15(8-12-17)20(26)27/h2-14,24H,1H3,(H,26,27)
InChIKeyWXXNFNQJCUQPBK-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

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

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Related Compounds

3-(2-bromo-4-fluoroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 56679746
3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 151405336
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-[(2-phenoxyphenyl)methylamino]benzoic acid
CID 71055366
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-phenoxybenzamide
CID 9293579
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 7269459
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-[3-(2-phenoxyphenyl)propoxy]benzoic acid
CID 57156772
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 42964194
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
The IUPAC name of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid (CID 56662667) is 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
The canonical SMILES for 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid is CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C(=O)O)cc2)C1=O.
What is the InChIKey of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
The InChIKey is WXXNFNQJCUQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6/c1-23(16-9-13-19(14-10-16)30-18-5-3-2-4-6-18)21(28)25(22(29)31-23)24-17-11-7-15(8-12-17)20(26)27/h2-14,24H,1H3,(H,26,27).
What are the key properties of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid?
4-[[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 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid is sourced from PubChem (CID 56662667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).