2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone

C14H23N3O5S — CID 55703652

IUPAC2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCCCCc1noc(CS(=O)(=O)CC(=O)N2CCOC(C)C2)n1
InChIInChI=1S/C14H23N3O5S/c1-3-4-5-12-15-13(22-16-12)9-23(19,20)10-14(18)17-6-7-21-11(2)8-17/h11H,3-10H2,1-2H3
InChIKeyUSJSSHVTRJXMBJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP0.57
Rot. Bonds7

About 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 55703652) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID55703652
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCCCCc1noc(CS(=O)(=O)CC(=O)N2CCOC(C)C2)n1
InChIInChI=1S/C14H23N3O5S/c1-3-4-5-12-15-13(22-16-12)9-23(19,20)10-14(18)17-6-7-21-11(2)8-17/h11H,3-10H2,1-2H3
InChIKeyUSJSSHVTRJXMBJ-UHFFFAOYSA-N
XLogP0.57
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 51080769
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone
CID 60584458
1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126783193
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 86989468
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86989478
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784953
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(piperidine-1-carbonyl)morpholin-4-yl]propan-1-one
CID 110246379
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 100837417
1-[(2R)-2-methylmorpholin-4-yl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94571896

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone (CID 55703652) is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone is CCCCc1noc(CS(=O)(=O)CC(=O)N2CCOC(C)C2)n1.
What is the InChIKey of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is USJSSHVTRJXMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-3-4-5-12-15-13(22-16-12)9-23(19,20)10-14(18)17-6-7-21-11(2)8-17/h11H,3-10H2,1-2H3.
What are the key properties of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 345.42 g/mol, XLogP of 0.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 55703652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).