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

C19H18N2O5 — CID 2301969

IUPACethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H18N2O5/c1-2-25-18(23)13-7-9-14(10-8-13)20-17(22)11-12-21-15-5-3-4-6-16(15)26-19(21)24/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyUUICWAIZVJRHLU-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.80
Rot. Bonds6

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

ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate (PubChem CID 2301969) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
PubChem CID2301969
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Nameethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H18N2O5/c1-2-25-18(23)13-7-9-14(10-8-13)20-17(22)11-12-21-15-5-3-4-6-16(15)26-19(21)24/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyUUICWAIZVJRHLU-UHFFFAOYSA-N
XLogP2.80
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate (CID 2301969) is ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate?
The InChIKey is UUICWAIZVJRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-25-18(23)13-7-9-14(10-8-13)20-17(22)11-12-21-15-5-3-4-6-16(15)26-19(21)24/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate?
ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate is sourced from PubChem (CID 2301969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).