2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

C23H20FN3O5 — CID 50805940

IUPAC2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
SMILESCc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccccc2F)c1
InChIInChI=1S/C23H20FN3O5/c1-14-7-8-20(30-12-16-11-23(29)27-21(25-16)10-15(2)32-27)18(9-14)26-22(28)13-31-19-6-4-3-5-17(19)24/h3-11H,12-13H2,1-2H3,(H,26,28)
InChIKeyZBYHROSFZVEXQN-UHFFFAOYSA-N
MW437.43 g/mol
LogP3.64
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide (PubChem CID 50805940) has the molecular formula C23H20FN3O5 and a molecular weight of 437.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
PubChem CID50805940
Molecular FormulaC23H20FN3O5
Molecular Weight437.43 g/mol
Exact Mass437.14
IUPAC Name2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
SMILESCc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccccc2F)c1
InChIInChI=1S/C23H20FN3O5/c1-14-7-8-20(30-12-16-11-23(29)27-21(25-16)10-15(2)32-27)18(9-14)26-22(28)13-31-19-6-4-3-5-17(19)24/h3-11H,12-13H2,1-2H3,(H,26,28)
InChIKeyZBYHROSFZVEXQN-UHFFFAOYSA-N
XLogP3.64
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide (CID 50805940) is 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide is Cc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?
The InChIKey is ZBYHROSFZVEXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5/c1-14-7-8-20(30-12-16-11-23(29)27-21(25-16)10-15(2)32-27)18(9-14)26-22(28)13-31-19-6-4-3-5-17(19)24/h3-11H,12-13H2,1-2H3,(H,26,28).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?
2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide has a molecular weight of 437.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 50805940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).