[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone

C19H24N4O5S — CID 53205049

IUPAC[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H24N4O5S/c1-14-5-6-15(13-16(14)29(25,26)23-9-11-27-12-10-23)17-20-18(28-21-17)19(24)22-7-3-2-4-8-22/h5-6,13H,2-4,7-12H2,1H3
InChIKeyYWHNSKPNAQKULO-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.69
Rot. Bonds4

About [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone

[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 53205049) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID53205049
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H24N4O5S/c1-14-5-6-15(13-16(14)29(25,26)23-9-11-27-12-10-23)17-20-18(28-21-17)19(24)22-7-3-2-4-8-22/h5-6,13H,2-4,7-12H2,1H3
InChIKeyYWHNSKPNAQKULO-UHFFFAOYSA-N
XLogP1.69
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
CID 50823388
ethyl 1-[2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidine-4-carboxylate
CID 53204897
N-(2,6-dimethylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53204995
N-cyclohexyl-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205074
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 53205187
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-cyclohexyl-2-methylbenzenesulfonamide
CID 53205144
azepan-1-yl-[3-[4-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,2,4-oxadiazol-5-yl]methanone
CID 95116351
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53031173
N-(2-chloro-4-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53204920
N-(2-methoxyphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205053
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 53205151

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone (CID 53205049) is [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is YWHNSKPNAQKULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-14-5-6-15(13-16(14)29(25,26)23-9-11-27-12-10-23)17-20-18(28-21-17)19(24)22-7-3-2-4-8-22/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 420.49 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53205049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).