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

C12H18N2O — CID 46877829

IUPAC3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
SMILESCc1cc(C2CC[C@H]3CCC2N3C)on1
InChIInChI=1S/C12H18N2O/c1-8-7-12(15-13-8)10-5-3-9-4-6-11(10)14(9)2/h7,9-11H,3-6H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyWELWZFRBQHTDAB-WHXUTIOJSA-N
MW206.29 g/mol
LogP2.32
Rot. Bonds1

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

3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole (PubChem CID 46877829) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
PubChem CID46877829
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
SMILESCc1cc(C2CC[C@H]3CCC2N3C)on1
InChIInChI=1S/C12H18N2O/c1-8-7-12(15-13-8)10-5-3-9-4-6-11(10)14(9)2/h7,9-11H,3-6H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyWELWZFRBQHTDAB-WHXUTIOJSA-N
XLogP2.32
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole (CID 46877829) is 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole is Cc1cc(C2CC[C@H]3CCC2N3C)on1.
What is the InChIKey of 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The InChIKey is WELWZFRBQHTDAB-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-7-12(15-13-8)10-5-3-9-4-6-11(10)14(9)2/h7,9-11H,3-6H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole is sourced from PubChem (CID 46877829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).