[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate

C22H19FN2O4 — CID 9134753

IUPAC[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1c(COC(=O)c2ccccc2N2CCCC2=O)noc1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O4/c1-14-18(24-29-21(14)15-8-10-16(23)11-9-15)13-28-22(27)17-5-2-3-6-19(17)25-12-4-7-20(25)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyYDRJVQFENLWNHX-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.27
Rot. Bonds5

About [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate

[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9134753) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9134753
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1c(COC(=O)c2ccccc2N2CCCC2=O)noc1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O4/c1-14-18(24-29-21(14)15-8-10-16(23)11-9-15)13-28-22(27)17-5-2-3-6-19(17)25-12-4-7-20(25)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyYDRJVQFENLWNHX-UHFFFAOYSA-N
XLogP4.27
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9134753) is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate is Cc1c(COC(=O)c2ccccc2N2CCCC2=O)noc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is YDRJVQFENLWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c1-14-18(24-29-21(14)15-8-10-16(23)11-9-15)13-28-22(27)17-5-2-3-6-19(17)25-12-4-7-20(25)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 394.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9134753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).