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

C19H19N3O5S — CID 46329228

IUPAC4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2noc(COc3ccccc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C19H19N3O5S/c23-28(24,22-10-12-25-13-11-22)17-8-6-15(7-9-17)19-20-18(27-21-19)14-26-16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyPEEDYCYHMXGMSM-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.34
Rot. Bonds6

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

4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (PubChem CID 46329228) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
PubChem CID46329228
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2noc(COc3ccccc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C19H19N3O5S/c23-28(24,22-10-12-25-13-11-22)17-8-6-15(7-9-17)19-20-18(27-21-19)14-26-16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyPEEDYCYHMXGMSM-UHFFFAOYSA-N
XLogP2.34
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-methylphenoxy)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 46329211
3-(4-ethylphenyl)-5-[(4-piperidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 60597298
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
4-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075404
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521576
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528770
4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075372
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825041
3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 50825186
N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 53075358

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine (CID 46329228) is 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2noc(COc3ccccc3)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
The InChIKey is PEEDYCYHMXGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c23-28(24,22-10-12-25-13-11-22)17-8-6-15(7-9-17)19-20-18(27-21-19)14-26-16-4-2-1-3-5-16/h1-9H,10-14H2.
What are the key properties of 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine?
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine has a molecular weight of 401.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 46329228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).