5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C21H21FN4O3S — CID 171148687

IUPAC5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(c2nc(-c4ccncc4)no2)C3)cc1F
InChIInChI=1S/C21H21FN4O3S/c1-13-2-5-18(12-19(13)22)30(27,28)26-16-3-4-17(26)11-15(10-16)21-24-20(25-29-21)14-6-8-23-9-7-14/h2,5-9,12,15-17H,3-4,10-11H2,1H3
InChIKeyOCHPCVGKHUINRF-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.68
Rot. Bonds4

About 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 171148687) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID171148687
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC Name5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(c2nc(-c4ccncc4)no2)C3)cc1F
InChIInChI=1S/C21H21FN4O3S/c1-13-2-5-18(12-19(13)22)30(27,28)26-16-3-4-17(26)11-15(10-16)21-24-20(25-29-21)14-6-8-23-9-7-14/h2,5-9,12,15-17H,3-4,10-11H2,1H3
InChIKeyOCHPCVGKHUINRF-UHFFFAOYSA-N
XLogP3.68
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-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

5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 171148663
3-pyridin-4-yl-5-(8-thiophen-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 171148653
3-(4-chlorophenyl)-5-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116737
5-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 24731368
5-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453842
5-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121097366
5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92751718
2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 171148685
(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015242
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
3-(3-fluoro-4-methylphenyl)-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120837142
[1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]triazol-4-yl]methanamine
CID 166291436

Frequently Asked Questions

What is the IUPAC name of 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 171148687) is 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)N2C3CCC2CC(c2nc(-c4ccncc4)no2)C3)cc1F.
What is the InChIKey of 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is OCHPCVGKHUINRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-13-2-5-18(12-19(13)22)30(27,28)26-16-3-4-17(26)11-15(10-16)21-24-20(25-29-21)14-6-8-23-9-7-14/h2,5-9,12,15-17H,3-4,10-11H2,1H3.
What are the key properties of 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 428.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 171148687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).