3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one

C16H19N3O5S — CID 46354987

IUPAC3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)N1CCOCC1
InChIInChI=1S/C16H19N3O5S/c20-16(19-8-10-23-11-9-19)7-6-15-17-14(18-24-15)12-25(21,22)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyLWUXZFIHRKWFKA-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.83
Rot. Bonds6

About 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one

3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 46354987) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID46354987
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)N1CCOCC1
InChIInChI=1S/C16H19N3O5S/c20-16(19-8-10-23-11-9-19)7-6-15-17-14(18-24-15)12-25(21,22)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyLWUXZFIHRKWFKA-UHFFFAOYSA-N
XLogP0.83
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 46354995
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 46354982
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 22579433
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
1-(2,3-dihydroindol-1-yl)-3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 50801330
[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 75356713
azepan-1-yl-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanone
CID 22579327
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 3721998
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46354981
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 22579440
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethoxypropyl)propanamide
CID 46354992

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one (CID 46354987) is 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)N1CCOCC1.
What is the InChIKey of 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LWUXZFIHRKWFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c20-16(19-8-10-23-11-9-19)7-6-15-17-14(18-24-15)12-25(21,22)13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 365.41 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 46354987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).