ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

C20H27N5O6S — CID 3437327

IUPACethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)(C)C)o3)cc2)CC1
InChIInChI=1S/C20H27N5O6S/c1-5-30-19(27)24-10-12-25(13-11-24)32(28,29)15-8-6-14(7-9-15)16(26)21-18-23-22-17(31-18)20(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,21,23,26)
InChIKeyVKVOTUALWDMPGB-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.08
Rot. Bonds5

About ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate (PubChem CID 3437327) has the molecular formula C20H27N5O6S and a molecular weight of 465.53 g/mol. Its IUPAC name is ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
PubChem CID3437327
Molecular FormulaC20H27N5O6S
Molecular Weight465.53 g/mol
Exact Mass465.17
IUPAC Nameethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)(C)C)o3)cc2)CC1
InChIInChI=1S/C20H27N5O6S/c1-5-30-19(27)24-10-12-25(13-11-24)32(28,29)15-8-6-14(7-9-15)16(26)21-18-23-22-17(31-18)20(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,21,23,26)
InChIKeyVKVOTUALWDMPGB-UHFFFAOYSA-N
XLogP2.08
TPSA134.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[4-[[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43977555
ethyl 4-[4-[[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 16917725
4-(azepan-1-ylsulfonyl)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4049893
N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 3541908
ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 23881284
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3291723
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
ethyl 4-[4-(thieno[2,3-d]pyrimidin-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 44899558
ethyl 4-[4-[[2-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4283004
ethyl 4-[4-(diethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 47952715
ethyl 4-[4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4218678

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate (CID 3437327) is ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)(C)C)o3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
The InChIKey is VKVOTUALWDMPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O6S/c1-5-30-19(27)24-10-12-25(13-11-24)32(28,29)15-8-6-14(7-9-15)16(26)21-18-23-22-17(31-18)20(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,21,23,26).
What are the key properties of ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate has a molecular weight of 465.53 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 3437327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).