4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine

C20H19N3O4S — CID 53075404

IUPAC4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C20H19N3O4S/c24-28(25,23-12-14-26-15-13-23)18-9-7-17(8-10-18)20-21-19(27-22-20)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2/b11-6+
InChIKeyIEWRJKCJUNSWTK-IZZDOVSWSA-N
MW397.46 g/mol
LogP2.93
Rot. Bonds5

About 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine

4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (PubChem CID 53075404) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
PubChem CID53075404
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C20H19N3O4S/c24-28(25,23-12-14-26-15-13-23)18-9-7-17(8-10-18)20-21-19(27-22-20)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2/b11-6+
InChIKeyIEWRJKCJUNSWTK-IZZDOVSWSA-N
XLogP2.93
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075248
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
CID 71843486
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228
[4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 1453664
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075372
4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075377
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (CID 53075404) is 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The InChIKey is IEWRJKCJUNSWTK-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-28(25,23-12-14-26-15-13-23)18-9-7-17(8-10-18)20-21-19(27-22-20)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2/b11-6+.
What are the key properties of 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine has a molecular weight of 397.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 53075404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).