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

C20H21N3O6S — CID 53075372

IUPAC4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESCOc1cc(OC)cc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1
InChIInChI=1S/C20H21N3O6S/c1-26-16-11-15(12-17(13-16)27-2)20-21-19(22-29-20)14-3-5-18(6-4-14)30(24,25)23-7-9-28-10-8-23/h3-6,11-13H,7-10H2,1-2H3
InChIKeyUCRZBCMUTCCZSJ-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.44
Rot. Bonds6

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

4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (PubChem CID 53075372) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
PubChem CID53075372
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESCOc1cc(OC)cc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1
InChIInChI=1S/C20H21N3O6S/c1-26-16-11-15(12-17(13-16)27-2)20-21-19(22-29-20)14-3-5-18(6-4-14)30(24,25)23-7-9-28-10-8-23/h3-6,11-13H,7-10H2,1-2H3
InChIKeyUCRZBCMUTCCZSJ-UHFFFAOYSA-N
XLogP2.44
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075377
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680327
5-(3,5-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075313
4-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]sulfonylmorpholine
CID 3570882
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228
3-(3,5-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56865018
4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
CID 71671443
5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075404
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 16580313
N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53075365
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (CID 53075372) is 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is COc1cc(OC)cc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1.
What is the InChIKey of 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The InChIKey is UCRZBCMUTCCZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-26-16-11-15(12-17(13-16)27-2)20-21-19(22-29-20)14-3-5-18(6-4-14)30(24,25)23-7-9-28-10-8-23/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine has a molecular weight of 431.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 53075372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).