ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate

C19H23N3O4 — CID 47001574

IUPACethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCCC2c2cc(CC)no2)cc1
InChIInChI=1S/C19H23N3O4/c1-3-14-12-17(26-21-14)16-6-5-11-22(16)19(24)20-15-9-7-13(8-10-15)18(23)25-4-2/h7-10,12,16H,3-6,11H2,1-2H3,(H,20,24)
InChIKeyCOYPROICNRTBNH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.78
Rot. Bonds5

About ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate

ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate (PubChem CID 47001574) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
PubChem CID47001574
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nameethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCCC2c2cc(CC)no2)cc1
InChIInChI=1S/C19H23N3O4/c1-3-14-12-17(26-21-14)16-6-5-11-22(16)19(24)20-15-9-7-13(8-10-15)18(23)25-4-2/h7-10,12,16H,3-6,11H2,1-2H3,(H,20,24)
InChIKeyCOYPROICNRTBNH-UHFFFAOYSA-N
XLogP3.78
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate (CID 47001574) is ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCCC2c2cc(CC)no2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The InChIKey is COYPROICNRTBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-14-12-17(26-21-14)16-6-5-11-22(16)19(24)20-15-9-7-13(8-10-15)18(23)25-4-2/h7-10,12,16H,3-6,11H2,1-2H3,(H,20,24).
What are the key properties of ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 47001574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).