4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

C17H15FN4O2 — CID 53133383

IUPAC4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESFc1cccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1
InChIInChI=1S/C17H15FN4O2/c18-14-3-1-2-13(10-14)17-20-16(21-24-17)12-4-5-19-15(11-12)22-6-8-23-9-7-22/h1-5,10-11H,6-9H2
InChIKeyPQIBIZLJEKWPEN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.77
Rot. Bonds3

About 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 53133383) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
PubChem CID53133383
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESFc1cccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1
InChIInChI=1S/C17H15FN4O2/c18-14-3-1-2-13(10-14)17-20-16(21-24-17)12-4-5-19-15(11-12)22-6-8-23-9-7-22/h1-5,10-11H,6-9H2
InChIKeyPQIBIZLJEKWPEN-UHFFFAOYSA-N
XLogP2.77
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 53133383) is 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is Fc1cccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1.
What is the InChIKey of 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is PQIBIZLJEKWPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-14-3-1-2-13(10-14)17-20-16(21-24-17)12-4-5-19-15(11-12)22-6-8-23-9-7-22/h1-5,10-11H,6-9H2.
What are the key properties of 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 326.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 53133383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).