(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate

C16H13FN2O5 — CID 20946578

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate
SMILESCc1cc2nc(COC(=O)COc3ccccc3F)cc(=O)n2o1
InChIInChI=1S/C16H13FN2O5/c1-10-6-14-18-11(7-15(20)19(14)24-10)8-23-16(21)9-22-13-5-3-2-4-12(13)17/h2-7H,8-9H2,1H3
InChIKeyWFUZASQEJKOSSX-UHFFFAOYSA-N
MW332.29 g/mol
LogP1.86
Rot. Bonds5

About (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate (PubChem CID 20946578) has the molecular formula C16H13FN2O5 and a molecular weight of 332.29 g/mol. Its IUPAC name is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate
PubChem CID20946578
Molecular FormulaC16H13FN2O5
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate
SMILESCc1cc2nc(COC(=O)COc3ccccc3F)cc(=O)n2o1
InChIInChI=1S/C16H13FN2O5/c1-10-6-14-18-11(7-15(20)19(14)24-10)8-23-16(21)9-22-13-5-3-2-4-12(13)17/h2-7H,8-9H2,1H3
InChIKeyWFUZASQEJKOSSX-UHFFFAOYSA-N
XLogP1.86
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate (CID 20946578) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate is Cc1cc2nc(COC(=O)COc3ccccc3F)cc(=O)n2o1.
What is the InChIKey of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate?
The InChIKey is WFUZASQEJKOSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O5/c1-10-6-14-18-11(7-15(20)19(14)24-10)8-23-16(21)9-22-13-5-3-2-4-12(13)17/h2-7H,8-9H2,1H3.
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate has a molecular weight of 332.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 20946578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).