ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate

C20H20N2O5 — CID 4805932

IUPACethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C20H20N2O5/c1-2-26-19(24)14-9-11-15(12-10-14)21-18(23)8-5-13-22-16-6-3-4-7-17(16)27-20(22)25/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,23)
InChIKeyAGXQORMLWAHWJL-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.19
Rot. Bonds7

About ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate

ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate (PubChem CID 4805932) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
PubChem CID4805932
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Nameethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C20H20N2O5/c1-2-26-19(24)14-9-11-15(12-10-14)21-18(23)8-5-13-22-16-6-3-4-7-17(16)27-20(22)25/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,23)
InChIKeyAGXQORMLWAHWJL-UHFFFAOYSA-N
XLogP3.19
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3868557
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 31290190
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41250658
ethyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9228382

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate?
The IUPAC name of ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate (CID 4805932) is ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate?
The canonical SMILES for ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate?
The InChIKey is AGXQORMLWAHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-2-26-19(24)14-9-11-15(12-10-14)21-18(23)8-5-13-22-16-6-3-4-7-17(16)27-20(22)25/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate?
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate has a molecular weight of 368.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate is sourced from PubChem (CID 4805932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).