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

C23H18FN3O6 — CID 50794005

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate
SMILESCc1cc2nc(COC(=O)c3ccccc3NC(=O)COc3ccccc3F)cc(=O)n2o1
InChIInChI=1S/C23H18FN3O6/c1-14-10-20-25-15(11-22(29)27(20)33-14)12-32-23(30)16-6-2-4-8-18(16)26-21(28)13-31-19-9-5-3-7-17(19)24/h2-11H,12-13H2,1H3,(H,26,28)
InChIKeyZBULIMMRMCUEAE-UHFFFAOYSA-N
MW451.41 g/mol
LogP3.11
Rot. Bonds7

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

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate (PubChem CID 50794005) has the molecular formula C23H18FN3O6 and a molecular weight of 451.41 g/mol. Its IUPAC name is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate
PubChem CID50794005
Molecular FormulaC23H18FN3O6
Molecular Weight451.41 g/mol
Exact Mass451.12
IUPAC Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate
SMILESCc1cc2nc(COC(=O)c3ccccc3NC(=O)COc3ccccc3F)cc(=O)n2o1
InChIInChI=1S/C23H18FN3O6/c1-14-10-20-25-15(11-22(29)27(20)33-14)12-32-23(30)16-6-2-4-8-18(16)26-21(28)13-31-19-9-5-3-7-17(19)24/h2-11H,12-13H2,1H3,(H,26,28)
InChIKeyZBULIMMRMCUEAE-UHFFFAOYSA-N
XLogP3.11
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(2-fluorophenoxy)acetyl]amino]benzoate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate (CID 50794005) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate is Cc1cc2nc(COC(=O)c3ccccc3NC(=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-(2-fluorophenoxy)acetyl]amino]benzoate?
The InChIKey is ZBULIMMRMCUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O6/c1-14-10-20-25-15(11-22(29)27(20)33-14)12-32-23(30)16-6-2-4-8-18(16)26-21(28)13-31-19-9-5-3-7-17(19)24/h2-11H,12-13H2,1H3,(H,26,28).
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]benzoate has a molecular weight of 451.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-(2-fluorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 50794005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).