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

C21H20N4O4 — CID 56804599

IUPAC3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCCOc1ccc(OC(C)c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1
InChIInChI=1S/C21H20N4O4/c1-3-26-15-6-8-16(9-7-15)27-12(2)19-23-24-20(28-19)14-10-17-18(13-4-5-13)25-29-21(17)22-11-14/h6-13H,3-5H2,1-2H3
InChIKeyBVPOJCLSSFZGCL-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.69
Rot. Bonds7

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

3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56804599) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56804599
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCCOc1ccc(OC(C)c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1
InChIInChI=1S/C21H20N4O4/c1-3-26-15-6-8-16(9-7-15)27-12(2)19-23-24-20(28-19)14-10-17-18(13-4-5-13)25-29-21(17)22-11-14/h6-13H,3-5H2,1-2H3
InChIKeyBVPOJCLSSFZGCL-UHFFFAOYSA-N
XLogP4.69
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 56804599) is 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)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-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is CCOc1ccc(OC(C)c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is BVPOJCLSSFZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-3-26-15-6-8-16(9-7-15)27-12(2)19-23-24-20(28-19)14-10-17-18(13-4-5-13)25-29-21(17)22-11-14/h6-13H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 392.42 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56804599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).