3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole

C15H21N5O3S — CID 164635181

IUPAC3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2noc(C)n2)cn1
InChIInChI=1S/C15H21N5O3S/c1-3-19-10-12(9-16-19)24(21,22)20-6-4-15(5-7-20)8-13(15)14-17-11(2)23-18-14/h9-10,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyGZOLUYMNKAZYOF-CYBMUJFWSA-N
MW351.43 g/mol
LogP1.55
Rot. Bonds4

About 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole

3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 164635181) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID164635181
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2noc(C)n2)cn1
InChIInChI=1S/C15H21N5O3S/c1-3-19-10-12(9-16-19)24(21,22)20-6-4-15(5-7-20)8-13(15)14-17-11(2)23-18-14/h9-10,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyGZOLUYMNKAZYOF-CYBMUJFWSA-N
XLogP1.55
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole (CID 164635181) is 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole is CCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2noc(C)n2)cn1.
What is the InChIKey of 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is GZOLUYMNKAZYOF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-3-19-10-12(9-16-19)24(21,22)20-6-4-15(5-7-20)8-13(15)14-17-11(2)23-18-14/h9-10,13H,3-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole?
3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 351.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 164635181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).