5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole

C15H26N4O4S — CID 97344886

IUPAC5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole
SMILESCOCc1nc([C@@H]2CCCCCN2S(=O)(=O)N2CCCCC2)no1
InChIInChI=1S/C15H26N4O4S/c1-22-12-14-16-15(17-23-14)13-8-4-2-7-11-19(13)24(20,21)18-9-5-3-6-10-18/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyAFYZSBNWKHUISZ-ZDUSSCGKSA-N
MW358.46 g/mol
LogP1.86
Rot. Bonds5

About 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole

5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole (PubChem CID 97344886) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole
PubChem CID97344886
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole
SMILESCOCc1nc([C@@H]2CCCCCN2S(=O)(=O)N2CCCCC2)no1
InChIInChI=1S/C15H26N4O4S/c1-22-12-14-16-15(17-23-14)13-8-4-2-7-11-19(13)24(20,21)18-9-5-3-6-10-18/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyAFYZSBNWKHUISZ-ZDUSSCGKSA-N
XLogP1.86
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-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

Related Compounds

3-[(2S)-1-(benzenesulfonyl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 97344881
2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 110269475
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 75474342
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
2-(2-fluorophenyl)-1-[(2S)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345540
2-(2-fluorophenyl)-1-[(2R)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345541
5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole
CID 51584464
N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 91919329
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 139013419

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole (CID 97344886) is 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole is COCc1nc([C@@H]2CCCCCN2S(=O)(=O)N2CCCCC2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole?
The InChIKey is AFYZSBNWKHUISZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-22-12-14-16-15(17-23-14)13-8-4-2-7-11-19(13)24(20,21)18-9-5-3-6-10-18/h13H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole?
5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole has a molecular weight of 358.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97344886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).