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

C19H24ClN3O — CID 46877980

IUPAC5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)n1
InChIInChI=1S/C19H24ClN3O/c1-11(2)18-21-19(24-22-18)17-15(12-4-6-13(20)7-5-12)10-14-8-9-16(17)23(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17?/m1/s1
InChIKeyZHQNCBQDCXZZPA-NUWOQIAWSA-N
MW345.87 g/mol
LogP4.58
Rot. Bonds3

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

5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 46877980) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID46877980
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)n1
InChIInChI=1S/C19H24ClN3O/c1-11(2)18-21-19(24-22-18)17-15(12-4-6-13(20)7-5-12)10-14-8-9-16(17)23(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17?/m1/s1
InChIKeyZHQNCBQDCXZZPA-NUWOQIAWSA-N
XLogP4.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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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
3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-8-aza-bicyclo[3.2.1]octane
CID 19425881
4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-piperidine
CID 44337826
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
5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 46877985
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
(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-piperidine
CID 9994448
5-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 10249165
(3R,4S)-4-(4-Chloro-phenyl)-3-[3-(4-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-1-methyl-piperidine
CID 44305884

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2C3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)N3C)n1.
What is the InChIKey of 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZHQNCBQDCXZZPA-NUWOQIAWSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-11(2)18-21-19(24-22-18)17-15(12-4-6-13(20)7-5-12)10-14-8-9-16(17)23(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17?/m1/s1.
What are the key properties of 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 345.87 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46877980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).