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

C13H8ClFN2O3 — CID 22270776

IUPAC5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3cc(F)ccc3Cl)ccc2o1
InChIInChI=1S/C13H8ClFN2O3/c14-9-2-1-8(15)5-7(9)6-17-4-3-10-11(12(17)18)16-13(19)20-10/h1-5H,6H2,(H,16,19)
InChIKeyYXEMIQIKYBDOTJ-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.12
Rot. Bonds2

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

5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 22270776) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID22270776
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3cc(F)ccc3Cl)ccc2o1
InChIInChI=1S/C13H8ClFN2O3/c14-9-2-1-8(15)5-7(9)6-17-4-3-10-11(12(17)18)16-13(19)20-10/h1-5H,6H2,(H,16,19)
InChIKeyYXEMIQIKYBDOTJ-UHFFFAOYSA-N
XLogP2.12
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 22270776) is 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is O=c1[nH]c2c(=O)n(Cc3cc(F)ccc3Cl)ccc2o1.
What is the InChIKey of 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is YXEMIQIKYBDOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-2-1-8(15)5-7(9)6-17-4-3-10-11(12(17)18)16-13(19)20-10/h1-5H,6H2,(H,16,19).
What are the key properties of 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 294.67 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-fluorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 22270776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).