4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid

C23H16N2O6 — CID 23859806

IUPAC4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid
SMILESO=C(COC(=O)c1ccccc1-c1nc2ccccc2o1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H16N2O6/c26-20(24-15-11-9-14(10-12-15)22(27)28)13-30-23(29)17-6-2-1-5-16(17)21-25-18-7-3-4-8-19(18)31-21/h1-12H,13H2,(H,24,26)(H,27,28)
InChIKeyBSGBDSSXTVCHTL-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.99
Rot. Bonds6

About 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid

4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid (PubChem CID 23859806) has the molecular formula C23H16N2O6 and a molecular weight of 416.39 g/mol. Its IUPAC name is 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid
PubChem CID23859806
Molecular FormulaC23H16N2O6
Molecular Weight416.39 g/mol
Exact Mass416.10
IUPAC Name4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid
SMILESO=C(COC(=O)c1ccccc1-c1nc2ccccc2o1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H16N2O6/c26-20(24-15-11-9-14(10-12-15)22(27)28)13-30-23(29)17-6-2-1-5-16(17)21-25-18-7-3-4-8-19(18)31-21/h1-12H,13H2,(H,24,26)(H,27,28)
InChIKeyBSGBDSSXTVCHTL-UHFFFAOYSA-N
XLogP3.99
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23943565
[2-(4-chloroanilino)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23943505
[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23831669
[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23802704
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 25034866
(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate
CID 23859986
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate
CID 41122351
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 25039802
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2581542
[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23943727

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid (CID 23859806) is 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid is O=C(COC(=O)c1ccccc1-c1nc2ccccc2o1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid?
The InChIKey is BSGBDSSXTVCHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O6/c26-20(24-15-11-9-14(10-12-15)22(27)28)13-30-23(29)17-6-2-1-5-16(17)21-25-18-7-3-4-8-19(18)31-21/h1-12H,13H2,(H,24,26)(H,27,28).
What are the key properties of 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid?
4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid has a molecular weight of 416.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid is sourced from PubChem (CID 23859806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).