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

C12H17N3O2 — CID 18960888

IUPAC3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2=CCC3CCC2N3C)n1
InChIInChI=1S/C12H17N3O2/c1-15-8-3-5-9(10(15)6-4-8)12-13-11(7-16-2)14-17-12/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyLGIKAHVYUOHBKF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.47
Rot. Bonds3

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

3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole (PubChem CID 18960888) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole
PubChem CID18960888
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2=CCC3CCC2N3C)n1
InChIInChI=1S/C12H17N3O2/c1-15-8-3-5-9(10(15)6-4-8)12-13-11(7-16-2)14-17-12/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyLGIKAHVYUOHBKF-UHFFFAOYSA-N
XLogP1.47
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 18960932
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-phenyl-1,2,4-oxadiazole
CID 59009688
5-[6-cyclopropyl-1-[(1S)-1-cyclopropylethyl]pyrazolo[5,4-b]pyridin-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97212063
1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 67832171
5-[(4Z)-cyclooct-4-en-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167847157
N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine
CID 86786866
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808401
[(2R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 42362376
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 45237589
5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 130666816

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole (CID 18960888) is 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole is COCc1noc(C2=CCC3CCC2N3C)n1.
What is the InChIKey of 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole?
The InChIKey is LGIKAHVYUOHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-8-3-5-9(10(15)6-4-8)12-13-11(7-16-2)14-17-12/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole?
3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole has a molecular weight of 235.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 18960888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).