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

C24H27N5O5S — CID 50823388

IUPAC[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O5S/c1-18-7-8-19(22-25-23(34-26-22)24(30)28-13-15-33-16-14-28)17-21(18)35(31,32)29-11-9-27(10-12-29)20-5-3-2-4-6-20/h2-8,17H,9-16H2,1H3
InChIKeyZITGAVYCQZJJAR-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.03
Rot. Bonds5

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

[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 50823388) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID50823388
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O5S/c1-18-7-8-19(22-25-23(34-26-22)24(30)28-13-15-33-16-14-28)17-21(18)35(31,32)29-11-9-27(10-12-29)20-5-3-2-4-6-20/h2-8,17H,9-16H2,1H3
InChIKeyZITGAVYCQZJJAR-UHFFFAOYSA-N
XLogP2.03
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 53205049
N-cyclohexyl-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205074
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
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
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
[3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53175259
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
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
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-cyclohexyl-2-methylbenzenesulfonamide
CID 53205144

Frequently Asked Questions

What is the IUPAC name of [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone (CID 50823388) is [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is ZITGAVYCQZJJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-18-7-8-19(22-25-23(34-26-22)24(30)28-13-15-33-16-14-28)17-21(18)35(31,32)29-11-9-27(10-12-29)20-5-3-2-4-6-20/h2-8,17H,9-16H2,1H3.
What are the key properties of [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 497.58 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50823388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).