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

C19H24N2O — CID 59919601

IUPAC3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
SMILESCc1ccc([C@H]2C[C@H]3CCC(C2c2cc(C)no2)N3C)cc1
InChIInChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3/t15-,16-,17?,19?/m1/s1
InChIKeyJWOFBAPJYPWTNI-HNXFYBAISA-N
MW296.41 g/mol
LogP4.03
Rot. Bonds2

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

3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole (PubChem CID 59919601) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
PubChem CID59919601
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
SMILESCc1ccc([C@H]2C[C@H]3CCC(C2c2cc(C)no2)N3C)cc1
InChIInChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3/t15-,16-,17?,19?/m1/s1
InChIKeyJWOFBAPJYPWTNI-HNXFYBAISA-N
XLogP4.03
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
CID 10565888
3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride
CID 69275296
5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-methyl-1,2-oxazole
CID 71158206
5-[(1R,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-methyl-1,2-oxazole;hydrochloride
CID 69273959
5-[(2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole;hydrochloride
CID 69274069
5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole
CID 44588229
5-[(2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-ethyl-1,2-oxazole
CID 59037557
5-[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole;hydrochloride
CID 161357055
3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
CID 46877829
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
6-methyl-2-[(2S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole
CID 59919573
2-[(2S,3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,3-benzothiazole
CID 160651701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole (CID 59919601) is 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole is Cc1ccc([C@H]2C[C@H]3CCC(C2c2cc(C)no2)N3C)cc1.
What is the InChIKey of 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The InChIKey is JWOFBAPJYPWTNI-HNXFYBAISA-N. The full InChI is InChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3/t15-,16-,17?,19?/m1/s1.
What are the key properties of 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole has a molecular weight of 296.41 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole is sourced from PubChem (CID 59919601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).