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

C15H19N3O2S — CID 84592261

IUPAC4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine
SMILESc1ccc(-c2nc(CSCCN3CCOCC3)no2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-4-13(5-3-1)15-16-14(17-20-15)12-21-11-8-18-6-9-19-10-7-18/h1-5H,6-12H2
InChIKeyLSBMBVHJTGLPQZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.30
Rot. Bonds6

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

4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine (PubChem CID 84592261) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine
PubChem CID84592261
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine
SMILESc1ccc(-c2nc(CSCCN3CCOCC3)no2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-4-13(5-3-1)15-16-14(17-20-15)12-21-11-8-18-6-9-19-10-7-18/h1-5H,6-12H2
InChIKeyLSBMBVHJTGLPQZ-UHFFFAOYSA-N
XLogP2.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine (CID 84592261) is 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine is c1ccc(-c2nc(CSCCN3CCOCC3)no2)cc1.
What is the InChIKey of 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine?
The InChIKey is LSBMBVHJTGLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-4-13(5-3-1)15-16-14(17-20-15)12-21-11-8-18-6-9-19-10-7-18/h1-5H,6-12H2.
What are the key properties of 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine?
4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine has a molecular weight of 305.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 84592261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).