[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

C22H29N3O6S — CID 16592262

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)on1
InChIInChI=1S/C22H29N3O6S/c1-13-10-14(2)17(5)21(16(13)4)32(28,29)25-8-6-18(7-9-25)22(27)30-12-19(26)23-20-11-15(3)24-31-20/h10-11,18H,6-9,12H2,1-5H3,(H,23,26)
InChIKeyCHOVYAADPAIPLM-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.80
Rot. Bonds6

About [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 16592262) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID16592262
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)on1
InChIInChI=1S/C22H29N3O6S/c1-13-10-14(2)17(5)21(16(13)4)32(28,29)25-8-6-18(7-9-25)22(27)30-12-19(26)23-20-11-15(3)24-31-20/h10-11,18H,6-9,12H2,1-5H3,(H,23,26)
InChIKeyCHOVYAADPAIPLM-UHFFFAOYSA-N
XLogP2.80
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-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

[2-(2-ethylanilino)-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 42977540
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
[(3S)-2-oxooxolan-3-yl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 7229435
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
(4-oxo-4-thiophen-2-ylbutyl) 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 42985326
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 46609342
(3-methoxyphenyl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 27026066
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24593960
N-(2-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55612058
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16596185

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate (CID 16592262) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate is Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)on1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is CHOVYAADPAIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-13-10-14(2)17(5)21(16(13)4)32(28,29)25-8-6-18(7-9-25)22(27)30-12-19(26)23-20-11-15(3)24-31-20/h10-11,18H,6-9,12H2,1-5H3,(H,23,26).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 463.56 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 16592262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).