[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate

C24H20N2O5 — CID 23943565

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C24H20N2O5/c1-2-29-17-13-11-16(12-14-17)25-22(27)15-30-24(28)19-8-4-3-7-18(19)23-26-20-9-5-6-10-21(20)31-23/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyOWEHWZABURWYBG-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.69
Rot. Bonds7

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate (PubChem CID 23943565) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
PubChem CID23943565
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C24H20N2O5/c1-2-29-17-13-11-16(12-14-17)25-22(27)15-30-24(28)19-8-4-3-7-18(19)23-26-20-9-5-6-10-21(20)31-23/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyOWEHWZABURWYBG-UHFFFAOYSA-N
XLogP4.69
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate with MolForge

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Related Compounds

4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid
CID 23859806
[2-(4-chloroanilino)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23943505
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009892
[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23802704
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 25034866
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916256
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
CID 1362317
[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23831669
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1323035

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate (CID 23943565) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate is CCOc1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3o2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate?
The InChIKey is OWEHWZABURWYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-2-29-17-13-11-16(12-14-17)25-22(27)15-30-24(28)19-8-4-3-7-18(19)23-26-20-9-5-6-10-21(20)31-23/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate has a molecular weight of 416.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate is sourced from PubChem (CID 23943565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).