1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone

C10H12N2O2 — CID 158320938

IUPAC1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
SMILESCC(=O)C12CC(c3nc(C)no3)(C1)C2
InChIInChI=1S/C10H12N2O2/c1-6(13)9-3-10(4-9,5-9)8-11-7(2)12-14-8/h3-5H2,1-2H3
InChIKeyUNEZVYVJVZLHEC-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.39
Rot. Bonds2

About 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone (PubChem CID 158320938) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
PubChem CID158320938
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
SMILESCC(=O)C12CC(c3nc(C)no3)(C1)C2
InChIInChI=1S/C10H12N2O2/c1-6(13)9-3-10(4-9,5-9)8-11-7(2)12-14-8/h3-5H2,1-2H3
InChIKeyUNEZVYVJVZLHEC-UHFFFAOYSA-N
XLogP1.39
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
CID 156545791
5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
CID 153246826
3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
CID 82406840
methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
CID 130742055
2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 125007960
2-fluoro-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166417496
1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine
CID 129286690
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide
CID 155960657
5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 46917700
5-[(3R)-3-fluoropiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 46917772

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
The IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone (CID 158320938) is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone.
What is the SMILES notation for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
The canonical SMILES for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone is CC(=O)C12CC(c3nc(C)no3)(C1)C2.
What is the InChIKey of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
The InChIKey is UNEZVYVJVZLHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(13)9-3-10(4-9,5-9)8-11-7(2)12-14-8/h3-5H2,1-2H3.
What are the key properties of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone has a molecular weight of 192.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone is sourced from PubChem (CID 158320938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).