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

C20H19N5O2 — CID 133475215

IUPAC4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(N3CCC(c4noc(C5CC5)n4)CC3)ncnc12
InChIInChI=1S/C20H19N5O2/c1-2-4-15-14(3-1)16-17(26-15)19(22-11-21-16)25-9-7-12(8-10-25)18-23-20(27-24-18)13-5-6-13/h1-4,11-13H,5-10H2
InChIKeyOKLYABPCNNKHEP-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.02
Rot. Bonds3

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

4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 133475215) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID133475215
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(N3CCC(c4noc(C5CC5)n4)CC3)ncnc12
InChIInChI=1S/C20H19N5O2/c1-2-4-15-14(3-1)16-17(26-15)19(22-11-21-16)25-9-7-12(8-10-25)18-23-20(27-24-18)13-5-6-13/h1-4,11-13H,5-10H2
InChIKeyOKLYABPCNNKHEP-UHFFFAOYSA-N
XLogP4.02
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 133475215) is 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)oc1c(N3CCC(c4noc(C5CC5)n4)CC3)ncnc12.
What is the InChIKey of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is OKLYABPCNNKHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-2-4-15-14(3-1)16-17(26-15)19(22-11-21-16)25-9-7-12(8-10-25)18-23-20(27-24-18)13-5-6-13/h1-4,11-13H,5-10H2.
What are the key properties of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 361.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 133475215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).