4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine

C17H16N4O2 — CID 50769386

IUPAC4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
SMILESc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)nc1
InChIInChI=1S/C17H16N4O2/c1-2-8-18-15(3-1)17-19-16(20-23-17)13-4-6-14(7-5-13)21-9-11-22-12-10-21/h1-8H,9-12H2
InChIKeyJKQMDJFOIPOJFR-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.64
Rot. Bonds3

About 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine

4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine (PubChem CID 50769386) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
PubChem CID50769386
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
SMILESc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)nc1
InChIInChI=1S/C17H16N4O2/c1-2-8-18-15(3-1)17-19-16(20-23-17)13-4-6-14(7-5-13)21-9-11-22-12-10-21/h1-8H,9-12H2
InChIKeyJKQMDJFOIPOJFR-UHFFFAOYSA-N
XLogP2.64
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine (CID 50769386) is 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine is c1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)nc1.
What is the InChIKey of 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
The InChIKey is JKQMDJFOIPOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-8-18-15(3-1)17-19-16(20-23-17)13-4-6-14(7-5-13)21-9-11-22-12-10-21/h1-8H,9-12H2.
What are the key properties of 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine has a molecular weight of 308.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]morpholine is sourced from PubChem (CID 50769386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).