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

C20H21N3O5S — CID 53075377

IUPAC4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESCOc1cccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1
InChIInChI=1S/C20H21N3O5S/c1-26-17-4-2-3-15(13-17)14-19-21-20(22-28-19)16-5-7-18(8-6-16)29(24,25)23-9-11-27-12-10-23/h2-8,13H,9-12,14H2,1H3
InChIKeyKKVCUISSSDWFHE-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.36
Rot. Bonds6

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

4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (PubChem CID 53075377) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
PubChem CID53075377
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESCOc1cccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1
InChIInChI=1S/C20H21N3O5S/c1-26-17-4-2-3-15(13-17)14-19-21-20(22-28-19)16-5-7-18(8-6-16)29(24,25)23-9-11-27-12-10-23/h2-8,13H,9-12,14H2,1H3
InChIKeyKKVCUISSSDWFHE-UHFFFAOYSA-N
XLogP2.36
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228
4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075372
N-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823172
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680327
N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 53075358
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221
5-[(3-methylphenoxy)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 46329211
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521576
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456436
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525273
3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 24627197

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (CID 53075377) is 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is COc1cccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1.
What is the InChIKey of 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The InChIKey is KKVCUISSSDWFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-26-17-4-2-3-15(13-17)14-19-21-20(22-28-19)16-5-7-18(8-6-16)29(24,25)23-9-11-27-12-10-23/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine has a molecular weight of 415.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 53075377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).