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

C20H23N5O3S — CID 95617766

IUPAC2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)cn1C
InChIInChI=1S/C20H23N5O3S/c1-14-21-17(13-24(14)2)29(26,27)25-10-8-20(9-11-25)12-16(20)19-23-22-18(28-19)15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyVVZQTEHVSXRDEJ-MRXNPFEDSA-N
MW413.50 g/mol
LogP2.74
Rot. Bonds4

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

2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 95617766) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID95617766
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)cn1C
InChIInChI=1S/C20H23N5O3S/c1-14-21-17(13-24(14)2)29(26,27)25-10-8-20(9-11-25)12-16(20)19-23-22-18(28-19)15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyVVZQTEHVSXRDEJ-MRXNPFEDSA-N
XLogP2.74
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-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 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 95617766) is 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole is Cc1nc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)cn1C.
What is the InChIKey of 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is VVZQTEHVSXRDEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-14-21-17(13-24(14)2)29(26,27)25-10-8-20(9-11-25)12-16(20)19-23-22-18(28-19)15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 413.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 95617766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).