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

C20H23N5O5S — CID 146070910

IUPAC1-benzyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)N(Cc3ccccc3)CCN2S(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C20H23N5O5S/c1-13-19(14(2)29-22-13)31(27,28)25-10-9-24(12-16-7-5-4-6-8-16)20(26)17(25)11-18-21-15(3)23-30-18/h4-8,17H,9-12H2,1-3H3
InChIKeyMUCNCCKFWVGGQC-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.63
Rot. Bonds6

About 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

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 (PubChem CID 146070910) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-benzyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID146070910
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC Name1-benzyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)N(Cc3ccccc3)CCN2S(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C20H23N5O5S/c1-13-19(14(2)29-22-13)31(27,28)25-10-9-24(12-16-7-5-4-6-8-16)20(26)17(25)11-18-21-15(3)23-30-18/h4-8,17H,9-12H2,1-3H3
InChIKeyMUCNCCKFWVGGQC-UHFFFAOYSA-N
XLogP1.63
TPSA122.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one
CID 146070891
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
benzyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 11926279
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 70774699
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45355223
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(CC2C(=O)N(Cc3ccccc3)CCN2S(=O)(=O)c2c(C)noc2C)n1.
What is the InChIKey of 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?
The InChIKey is MUCNCCKFWVGGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-13-19(14(2)29-22-13)31(27,28)25-10-9-24(12-16-7-5-4-6-8-16)20(26)17(25)11-18-21-15(3)23-30-18/h4-8,17H,9-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 445.50 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146070910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).