4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine

C22H16N4O4 — CID 133299457

IUPAC4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(Oc3ccc(-c4noc(C5CCCO5)n4)cc3)ncnc12
InChIInChI=1S/C22H16N4O4/c1-2-5-16-15(4-1)18-19(29-16)22(24-12-23-18)28-14-9-7-13(8-10-14)20-25-21(30-26-20)17-6-3-11-27-17/h1-2,4-5,7-10,12,17H,3,6,11H2
InChIKeyUUBAVMSISVVKIY-UHFFFAOYSA-N
MW400.39 g/mol
LogP5.07
Rot. Bonds4

About 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine

4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 133299457) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID133299457
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(Oc3ccc(-c4noc(C5CCCO5)n4)cc3)ncnc12
InChIInChI=1S/C22H16N4O4/c1-2-5-16-15(4-1)18-19(29-16)22(24-12-23-18)28-14-9-7-13(8-10-14)20-25-21(30-26-20)17-6-3-11-27-17/h1-2,4-5,7-10,12,17H,3,6,11H2
InChIKeyUUBAVMSISVVKIY-UHFFFAOYSA-N
XLogP5.07
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine (CID 133299457) is 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)oc1c(Oc3ccc(-c4noc(C5CCCO5)n4)cc3)ncnc12.
What is the InChIKey of 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is UUBAVMSISVVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c1-2-5-16-15(4-1)18-19(29-16)22(24-12-23-18)28-14-9-7-13(8-10-14)20-25-21(30-26-20)17-6-3-11-27-17/h1-2,4-5,7-10,12,17H,3,6,11H2.
What are the key properties of 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 400.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 133299457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).