5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole

C23H25N3O — CID 46877985

IUPAC5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc([C@H]2C[C@H]3CCC(C2c2nc(-c4ccccc4)no2)N3C)cc1
InChIInChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19-,20?,21?/m1/s1
InChIKeyWYJIEKRDCVWTRP-HJLBWTBNSA-N
MW359.47 g/mol
LogP4.78
Rot. Bonds3

About 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 46877985) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID46877985
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc([C@H]2C[C@H]3CCC(C2c2nc(-c4ccccc4)no2)N3C)cc1
InChIInChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19-,20?,21?/m1/s1
InChIKeyWYJIEKRDCVWTRP-HJLBWTBNSA-N
XLogP4.78
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-8-aza-bicyclo[3.2.1]octane
CID 44326149
Cyclohexyl-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 649787
3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-8-aza-bicyclo[3.2.1]octane
CID 19425881
5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 46877980
3-methyl-5-[(3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole
CID 46877983
5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-methyl-1,2,4-oxadiazole
CID 46877984
3-(4-bromophenyl)-5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole
CID 46877986
3-(4-chlorophenyl)-5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole
CID 46877987
5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 46877988
(2S)-2-[[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide
CID 71727800
SLP7111228 (hydrochloride)
CID 91864625
(2,4-Difluoro-phenyl)-{3-[3-(4-isopropyl-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 656001

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 46877985) is 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc([C@H]2C[C@H]3CCC(C2c2nc(-c4ccccc4)no2)N3C)cc1.
What is the InChIKey of 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WYJIEKRDCVWTRP-HJLBWTBNSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19-,20?,21?/m1/s1.
What are the key properties of 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 359.47 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 46877985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).