[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone

C25H30N4O4S — CID 30749625

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1noc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)CC3)cc2)n1
InChIInChI=1S/C25H30N4O4S/c1-15-16(2)18(4)23(19(5)17(15)3)34(31,32)29-13-11-28(12-14-29)25(30)22-9-7-21(8-10-22)24-26-20(6)27-33-24/h7-10H,11-14H2,1-6H3
InChIKeyFQBKVGQOBBCWCZ-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.73
Rot. Bonds4

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 30749625) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID30749625
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1noc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)CC3)cc2)n1
InChIInChI=1S/C25H30N4O4S/c1-15-16(2)18(4)23(19(5)17(15)3)34(31,32)29-13-11-28(12-14-29)25(30)22-9-7-21(8-10-22)24-26-20(6)27-33-24/h7-10H,11-14H2,1-6H3
InChIKeyFQBKVGQOBBCWCZ-UHFFFAOYSA-N
XLogP3.73
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 36723947
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 39950040
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39581438
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 18382318
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 33028744
(2-fluoro-4-pyridinyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 52818634
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560
4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 45352246
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 36715719
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9150905

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 30749625) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1noc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)CC3)cc2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is FQBKVGQOBBCWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-15-16(2)18(4)23(19(5)17(15)3)34(31,32)29-13-11-28(12-14-29)25(30)22-9-7-21(8-10-22)24-26-20(6)27-33-24/h7-10H,11-14H2,1-6H3.
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 482.61 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 30749625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).