5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole

C13H19N3O — CID 18960932

IUPAC5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2=CCC3CCC2N3C)n1
InChIInChI=1S/C13H19N3O/c1-8(2)12-14-13(17-15-12)10-6-4-9-5-7-11(10)16(9)3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyBJEXILGBPOJQAL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds2

About 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 18960932) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID18960932
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2=CCC3CCC2N3C)n1
InChIInChI=1S/C13H19N3O/c1-8(2)12-14-13(17-15-12)10-6-4-9-5-7-11(10)16(9)3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyBJEXILGBPOJQAL-UHFFFAOYSA-N
XLogP2.44
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole;oxalic acid
CID 18960931
3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole
CID 18960888
5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 134707242
3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069276
5-[(3-methylidene-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 139022855
(2S)-2-phenyl-1-[(3S)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]butan-1-one
CID 99739863
furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891862
N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347914
5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 124823156
1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 98370670
1-(4-aminocyclohexyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 70783332

Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 18960932) is 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2=CCC3CCC2N3C)n1.
What is the InChIKey of 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is BJEXILGBPOJQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)12-14-13(17-15-12)10-6-4-9-5-7-11(10)16(9)3/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 233.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 18960932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).