5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine

C17H13FN4O3 — CID 56784737

IUPAC5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2ncc(-c3nnc(C(C)Oc4ccc(F)cc4)o3)cc12
InChIInChI=1S/C17H13FN4O3/c1-9-14-7-11(8-19-17(14)25-22-9)16-21-20-15(24-16)10(2)23-13-5-3-12(18)4-6-13/h3-8,10H,1-2H3
InChIKeyPQHWHVRFWFFSGL-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.86
Rot. Bonds4

About 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine

5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56784737) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56784737
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2ncc(-c3nnc(C(C)Oc4ccc(F)cc4)o3)cc12
InChIInChI=1S/C17H13FN4O3/c1-9-14-7-11(8-19-17(14)25-22-9)16-21-20-15(24-16)10(2)23-13-5-3-12(18)4-6-13/h3-8,10H,1-2H3
InChIKeyPQHWHVRFWFFSGL-UHFFFAOYSA-N
XLogP3.86
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (CID 56784737) is 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2ncc(-c3nnc(C(C)Oc4ccc(F)cc4)o3)cc12.
What is the InChIKey of 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is PQHWHVRFWFFSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c1-9-14-7-11(8-19-17(14)25-22-9)16-21-20-15(24-16)10(2)23-13-5-3-12(18)4-6-13/h3-8,10H,1-2H3.
What are the key properties of 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 340.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56784737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).