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

C18H10N4O3 — CID 9441589

IUPAC4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(Oc3ccc(-c4nnco4)cc3)ncnc12
InChIInChI=1S/C18H10N4O3/c1-2-4-14-13(3-1)15-16(25-14)18(20-9-19-15)24-12-7-5-11(6-8-12)17-22-21-10-23-17/h1-10H
InChIKeyAMMULFBAKAJSLR-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.22
Rot. Bonds3

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

4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 9441589) has the molecular formula C18H10N4O3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID9441589
Molecular FormulaC18H10N4O3
Molecular Weight330.30 g/mol
Exact Mass330.08
IUPAC Name4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(Oc3ccc(-c4nnco4)cc3)ncnc12
InChIInChI=1S/C18H10N4O3/c1-2-4-14-13(3-1)15-16(25-14)18(20-9-19-15)24-12-7-5-11(6-8-12)17-22-21-10-23-17/h1-10H
InChIKeyAMMULFBAKAJSLR-UHFFFAOYSA-N
XLogP4.22
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine (CID 9441589) is 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)oc1c(Oc3ccc(-c4nnco4)cc3)ncnc12.
What is the InChIKey of 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is AMMULFBAKAJSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O3/c1-2-4-14-13(3-1)15-16(25-14)18(20-9-19-15)24-12-7-5-11(6-8-12)17-22-21-10-23-17/h1-10H.
What are the key properties of 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 330.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 9441589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).