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

C20H18N4O4 — CID 56804581

IUPAC3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCCOc1ccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1OC
InChIInChI=1S/C20H18N4O4/c1-3-26-15-7-6-12(9-16(15)25-2)18-22-23-19(27-18)13-8-14-17(11-4-5-11)24-28-20(14)21-10-13/h6-11H,3-5H2,1-2H3
InChIKeyWDYHDGQDKPMGQZ-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.22
Rot. Bonds6

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

3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56804581) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56804581
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCCOc1ccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1OC
InChIInChI=1S/C20H18N4O4/c1-3-26-15-7-6-12(9-16(15)25-2)18-22-23-19(27-18)13-8-14-17(11-4-5-11)24-28-20(14)21-10-13/h6-11H,3-5H2,1-2H3
InChIKeyWDYHDGQDKPMGQZ-UHFFFAOYSA-N
XLogP4.22
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.22
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-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 56804581) is 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is CCOc1ccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1OC.
What is the InChIKey of 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is WDYHDGQDKPMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-3-26-15-7-6-12(9-16(15)25-2)18-22-23-19(27-18)13-8-14-17(11-4-5-11)24-28-20(14)21-10-13/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 378.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56804581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).