1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

C19H25N3O5S — CID 55530393

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
SMILESCc1noc(C(C)OC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)n1
InChIInChI=1S/C19H25N3O5S/c1-12-9-13(2)11-22(10-12)28(24,25)17-7-5-16(6-8-17)19(23)26-14(3)18-20-15(4)21-27-18/h5-8,12-14H,9-11H2,1-4H3
InChIKeyWKCZHQVYOLZHKF-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.96
Rot. Bonds5

About 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate (PubChem CID 55530393) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
PubChem CID55530393
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
SMILESCc1noc(C(C)OC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)n1
InChIInChI=1S/C19H25N3O5S/c1-12-9-13(2)11-22(10-12)28(24,25)17-7-5-16(6-8-17)19(23)26-14(3)18-20-15(4)21-27-18/h5-8,12-14H,9-11H2,1-4H3
InChIKeyWKCZHQVYOLZHKF-UHFFFAOYSA-N
XLogP2.96
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate 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

[(2S)-1-amino-1-oxopropan-2-yl] 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 7197040
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2600668
[(R)-cyano(cyclopropyl)methyl] 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 95787350
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 41123965
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 41123964
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 98316960
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 42887002
[(1S)-1-phenylethyl] 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 25471498
(4-acetylphenyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2634805
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46824430

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate (CID 55530393) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate is Cc1noc(C(C)OC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate?
The InChIKey is WKCZHQVYOLZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-12-9-13(2)11-22(10-12)28(24,25)17-7-5-16(6-8-17)19(23)26-14(3)18-20-15(4)21-27-18/h5-8,12-14H,9-11H2,1-4H3.
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate?
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate has a molecular weight of 407.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 55530393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).