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

C19H15FN4O3 — CID 56804602

IUPAC3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCC(Oc1ccc(F)cc1)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1
InChIInChI=1S/C19H15FN4O3/c1-10(25-14-6-4-13(20)5-7-14)17-22-23-18(26-17)12-8-15-16(11-2-3-11)24-27-19(15)21-9-12/h4-11H,2-3H2,1H3
InChIKeyVLCINIXOCGMTQE-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.43
Rot. Bonds5

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

3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56804602) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56804602
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCC(Oc1ccc(F)cc1)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1
InChIInChI=1S/C19H15FN4O3/c1-10(25-14-6-4-13(20)5-7-14)17-22-23-18(26-17)12-8-15-16(11-2-3-11)24-27-19(15)21-9-12/h4-11H,2-3H2,1H3
InChIKeyVLCINIXOCGMTQE-UHFFFAOYSA-N
XLogP4.43
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 56804602) is 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is CC(Oc1ccc(F)cc1)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1.
What is the InChIKey of 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is VLCINIXOCGMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-10(25-14-6-4-13(20)5-7-14)17-22-23-18(26-17)12-8-15-16(11-2-3-11)24-27-19(15)21-9-12/h4-11H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 366.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56804602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).