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

C19H25ClN2O — CID 69275296

IUPAC3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride
SMILESCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(C)no2)N3C)cc1.Cl
InChIInChI=1S/C19H24N2O.ClH/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;1H/t15-,16+,17+,19-;/m0./s1
InChIKeyYEIAQSFDSYWGLB-BHWHTLRVSA-N
MW332.88 g/mol
LogP4.45
Rot. Bonds2

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

3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride (PubChem CID 69275296) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride
PubChem CID69275296
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride
SMILESCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(C)no2)N3C)cc1.Cl
InChIInChI=1S/C19H24N2O.ClH/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;1H/t15-,16+,17+,19-;/m0./s1
InChIKeyYEIAQSFDSYWGLB-BHWHTLRVSA-N
XLogP4.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride?
The IUPAC name of 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) is 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride is Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(C)no2)N3C)cc1.Cl.
What is the InChIKey of 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride?
The InChIKey is YEIAQSFDSYWGLB-BHWHTLRVSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/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;1H/t15-,16+,17+,19-;/m0./s1.
What are the key properties of 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride?
3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 69275296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).