(5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate

C21H17FN2O4 — CID 78847508

IUPAC(5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
SMILESO=C1CCC(COC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)N1
InChIInChI=1S/C21H17FN2O4/c22-17-8-4-3-7-16(17)18-11-23-20(28-18)14-5-1-2-6-15(14)21(26)27-12-13-9-10-19(25)24-13/h1-8,11,13H,9-10,12H2,(H,24,25)
InChIKeyYUMUHWRFRKVMHJ-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.58
Rot. Bonds5

About (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate

(5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 78847508) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID78847508
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name(5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
SMILESO=C1CCC(COC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)N1
InChIInChI=1S/C21H17FN2O4/c22-17-8-4-3-7-16(17)18-11-23-20(28-18)14-5-1-2-6-15(14)21(26)27-12-13-9-10-19(25)24-13/h1-8,11,13H,9-10,12H2,(H,24,25)
InChIKeyYUMUHWRFRKVMHJ-UHFFFAOYSA-N
XLogP3.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate (CID 78847508) is (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate is O=C1CCC(COC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is YUMUHWRFRKVMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-17-8-4-3-7-16(17)18-11-23-20(28-18)14-5-1-2-6-15(14)21(26)27-12-13-9-10-19(25)24-13/h1-8,11,13H,9-10,12H2,(H,24,25).
What are the key properties of (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
(5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 380.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 78847508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).