4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole

C11H16N2O — CID 19018578

IUPAC4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CN3CCC2CC3)co1
InChIInChI=1S/C11H16N2O/c1-8-12-11(7-14-8)10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3
InChIKeyBLPBBCHETVJPQR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.79
Rot. Bonds1

About 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole

4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole (PubChem CID 19018578) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole
PubChem CID19018578
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CN3CCC2CC3)co1
InChIInChI=1S/C11H16N2O/c1-8-12-11(7-14-8)10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3
InChIKeyBLPBBCHETVJPQR-UHFFFAOYSA-N
XLogP1.79
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole
CID 14685512
4-(1-Azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine
CID 19018565
2-(1-Azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole
CID 19018580
4-Piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
CID 84685358
2-(1-Azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride
CID 14685513
4-(1-Azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole
CID 19887598
4-(1-Methylpiperidin-3-yl)-1,3-oxazole
CID 69351704
2-(1-Methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole
CID 71263349
4-[2,2-Dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
CID 146254888
4-[(2-Methyl-1,3-oxazol-4-yl)methyl]piperidin-1-amine
CID 147587506
Ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
CID 176692737
2-Methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
CID 177116505

Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole (CID 19018578) is 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole is Cc1nc(C2CN3CCC2CC3)co1.
What is the InChIKey of 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole?
The InChIKey is BLPBBCHETVJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-12-11(7-14-8)10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3.
What are the key properties of 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole?
4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole has a molecular weight of 192.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 19018578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).