5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

C13H9FN2O3 — CID 22270830

IUPAC5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3ccccc3F)ccc2o1
InChIInChI=1S/C13H9FN2O3/c14-9-4-2-1-3-8(9)7-16-6-5-10-11(12(16)17)15-13(18)19-10/h1-6H,7H2,(H,15,18)
InChIKeyVMKGDBHLZOSUFB-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.47
Rot. Bonds2

About 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 22270830) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID22270830
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3ccccc3F)ccc2o1
InChIInChI=1S/C13H9FN2O3/c14-9-4-2-1-3-8(9)7-16-6-5-10-11(12(16)17)15-13(18)19-10/h1-6H,7H2,(H,15,18)
InChIKeyVMKGDBHLZOSUFB-UHFFFAOYSA-N
XLogP1.47
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 22270830) is 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is O=c1[nH]c2c(=O)n(Cc3ccccc3F)ccc2o1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is VMKGDBHLZOSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-9-4-2-1-3-8(9)7-16-6-5-10-11(12(16)17)15-13(18)19-10/h1-6H,7H2,(H,15,18).
What are the key properties of 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 260.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 22270830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).