6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one

C21H27N5O5S — CID 53075446

IUPAC6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
SMILESCc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCN(C5CCCCC5)CC4)ccc32)no1
InChIInChI=1S/C21H27N5O5S/c1-15-22-20(23-31-15)14-26-18-8-7-17(13-19(18)30-21(26)27)32(28,29)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3
InChIKeyNHAYWMLTCHPURE-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.97
Rot. Bonds5

About 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one

6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 53075446) has the molecular formula C21H27N5O5S and a molecular weight of 461.54 g/mol. Its IUPAC name is 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID53075446
Molecular FormulaC21H27N5O5S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC Name6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
SMILESCc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCN(C5CCCCC5)CC4)ccc32)no1
InChIInChI=1S/C21H27N5O5S/c1-15-22-20(23-31-15)14-26-18-8-7-17(13-19(18)30-21(26)27)32(28,29)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3
InChIKeyNHAYWMLTCHPURE-UHFFFAOYSA-N
XLogP1.97
TPSA114.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
CID 100890652
6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
CID 53075456
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075674
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075641
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075538
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075563
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53006821
propyl 2-[6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051998
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
3-benzyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259718
3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110421389
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one (CID 53075446) is 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one is Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCN(C5CCCCC5)CC4)ccc32)no1.
What is the InChIKey of 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is NHAYWMLTCHPURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S/c1-15-22-20(23-31-15)14-26-18-8-7-17(13-19(18)30-21(26)27)32(28,29)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3.
What are the key properties of 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one?
6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 461.54 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 53075446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).