4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

C15H18FN3O3S — CID 862318

IUPAC4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESFc1ccc(OCc2nnc(SCCN3CCOCC3)o2)cc1
InChIInChI=1S/C15H18FN3O3S/c16-12-1-3-13(4-2-12)21-11-14-17-18-15(22-14)23-10-7-19-5-8-20-9-6-19/h1-4H,5-11H2
InChIKeyXVEUMPXFAGBCBS-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.21
Rot. Bonds7

About 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (PubChem CID 862318) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
PubChem CID862318
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESFc1ccc(OCc2nnc(SCCN3CCOCC3)o2)cc1
InChIInChI=1S/C15H18FN3O3S/c16-12-1-3-13(4-2-12)21-11-14-17-18-15(22-14)23-10-7-19-5-8-20-9-6-19/h1-4H,5-11H2
InChIKeyXVEUMPXFAGBCBS-UHFFFAOYSA-N
XLogP2.21
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (CID 862318) is 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is Fc1ccc(OCc2nnc(SCCN3CCOCC3)o2)cc1.
What is the InChIKey of 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The InChIKey is XVEUMPXFAGBCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c16-12-1-3-13(4-2-12)21-11-14-17-18-15(22-14)23-10-7-19-5-8-20-9-6-19/h1-4H,5-11H2.
What are the key properties of 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine has a molecular weight of 339.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 862318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).