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

C15H19FN3O3S+ — CID 7119990

IUPAC4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium
SMILESFc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)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/p+1
InChIKeyXVEUMPXFAGBCBS-UHFFFAOYSA-O
MW340.40 g/mol
LogP0.79
Rot. Bonds7

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

4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium (PubChem CID 7119990) has the molecular formula C15H19FN3O3S+ and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium
PubChem CID7119990
Molecular FormulaC15H19FN3O3S+
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium
SMILESFc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)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/p+1
InChIKeyXVEUMPXFAGBCBS-UHFFFAOYSA-O
XLogP0.79
TPSA61.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]morpholin-4-ium?
The IUPAC name of 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium (CID 7119990) is 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium is Fc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)o2)cc1.
What is the InChIKey of 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium?
The InChIKey is XVEUMPXFAGBCBS-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium?
4-[2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium has a molecular weight of 340.40 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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]morpholin-4-ium is sourced from PubChem (CID 7119990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).