1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one

C20H21N5O4S — CID 146070891

IUPAC1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one
SMILESCc1noc(CC2C(=O)N(Cc3ccccc3)CCN2S(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C20H21N5O4S/c1-15-22-19(29-23-15)12-18-20(26)24(14-16-6-3-2-4-7-16)10-11-25(18)30(27,28)17-8-5-9-21-13-17/h2-9,13,18H,10-12,14H2,1H3
InChIKeyTUIPEOHRZUGSLF-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.42
Rot. Bonds6

About 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one

1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one (PubChem CID 146070891) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one
PubChem CID146070891
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one
SMILESCc1noc(CC2C(=O)N(Cc3ccccc3)CCN2S(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C20H21N5O4S/c1-15-22-19(29-23-15)12-18-20(26)24(14-16-6-3-2-4-7-16)10-11-25(18)30(27,28)17-8-5-9-21-13-17/h2-9,13,18H,10-12,14H2,1H3
InChIKeyTUIPEOHRZUGSLF-UHFFFAOYSA-N
XLogP1.42
TPSA109.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one with MolForge

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Related Compounds

1-benzyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146070910
4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide
CID 146070879
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one
CID 146069975
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 146070019
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 56724154
4-(benzenesulfonyl)-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069911
(3S,3aS,6aS)-1-benzyl-3-methoxy-5-pyridin-3-ylsulfonyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119834
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
3-(2-methylphenyl)-5-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 86265984
(3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97270943

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one?
The IUPAC name of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one (CID 146070891) is 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one?
The canonical SMILES for 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one is Cc1noc(CC2C(=O)N(Cc3ccccc3)CCN2S(=O)(=O)c2cccnc2)n1.
What is the InChIKey of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one?
The InChIKey is TUIPEOHRZUGSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-15-22-19(29-23-15)12-18-20(26)24(14-16-6-3-2-4-7-16)10-11-25(18)30(27,28)17-8-5-9-21-13-17/h2-9,13,18H,10-12,14H2,1H3.
What are the key properties of 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one?
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one has a molecular weight of 427.49 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 146070891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).