4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine

C12H13N3O4S — CID 2408761

IUPAC4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2nnco2)c1)N1CCOCC1
InChIInChI=1S/C12H13N3O4S/c16-20(17,15-4-6-18-7-5-15)11-3-1-2-10(8-11)12-14-13-9-19-12/h1-3,8-9H,4-7H2
InChIKeyCBUVXWYLYMTRIB-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.76
Rot. Bonds3

About 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine

4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine (PubChem CID 2408761) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
PubChem CID2408761
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2nnco2)c1)N1CCOCC1
InChIInChI=1S/C12H13N3O4S/c16-20(17,15-4-6-18-7-5-15)11-3-1-2-10(8-11)12-14-13-9-19-12/h1-3,8-9H,4-7H2
InChIKeyCBUVXWYLYMTRIB-UHFFFAOYSA-N
XLogP0.76
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-[1,3,4]Oxadiazol-2-yl-benzenesulfonyl)-piperidine
CID 1519125
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 655511
N,4-dimethyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 2372906
N,N-Diethyl-4-[5-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 647790
N-ethyl-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4326152
2-[[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824619
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 5158895
3-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 155565232
4-[[5-(3-Morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 7534391
N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 891540
N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 1107095
2-{5-[3-(Piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-ylthio}acetamide
CID 2340783

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine (CID 2408761) is 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(-c2nnco2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
The InChIKey is CBUVXWYLYMTRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-20(17,15-4-6-18-7-5-15)11-3-1-2-10(8-11)12-14-13-9-19-12/h1-3,8-9H,4-7H2.
What are the key properties of 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine has a molecular weight of 295.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 2408761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).