[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate

C22H19N3O5 — CID 55836104

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H19N3O5/c26-20(24-17-4-1-2-5-18(17)25-11-3-6-21(25)27)13-29-22(28)16-9-7-15(8-10-16)19-12-23-14-30-19/h1-2,4-5,7-10,12,14H,3,6,11,13H2,(H,24,26)
InChIKeyCLJHNQQURXGEQC-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.26
Rot. Bonds6

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate (PubChem CID 55836104) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate
PubChem CID55836104
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H19N3O5/c26-20(24-17-4-1-2-5-18(17)25-11-3-6-21(25)27)13-29-22(28)16-9-7-15(8-10-16)19-12-23-14-30-19/h1-2,4-5,7-10,12,14H,3,6,11,13H2,(H,24,26)
InChIKeyCLJHNQQURXGEQC-UHFFFAOYSA-N
XLogP3.26
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate with MolForge

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 36708103
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55837261
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 43036607
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloropyridine-3-carboxylate
CID 41175485
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55835848
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55465845
2-(2-aminoethoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79473885
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55996026
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate (CID 55836104) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate is O=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate?
The InChIKey is CLJHNQQURXGEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c26-20(24-17-4-1-2-5-18(17)25-11-3-6-21(25)27)13-29-22(28)16-9-7-15(8-10-16)19-12-23-14-30-19/h1-2,4-5,7-10,12,14H,3,6,11,13H2,(H,24,26).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate has a molecular weight of 405.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 55836104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).