1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone

C8H10N2O2 — CID 156545791

IUPAC1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2nc(C)no2)CC1
InChIInChI=1S/C8H10N2O2/c1-5(11)8(3-4-8)7-9-6(2)10-12-7/h3-4H2,1-2H3
InChIKeyAZTHAPCRDAMKNG-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.00
Rot. Bonds2

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

1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone (PubChem CID 156545791) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
PubChem CID156545791
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2nc(C)no2)CC1
InChIInChI=1S/C8H10N2O2/c1-5(11)8(3-4-8)7-9-6(2)10-12-7/h3-4H2,1-2H3
InChIKeyAZTHAPCRDAMKNG-UHFFFAOYSA-N
XLogP1.00
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
CID 82406840
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
CID 158320938
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
CID 130742055
5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
CID 153246826
ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79472027
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
methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734885
2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 125007960
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide
CID 155960657
2-fluoro-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166417496

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone (CID 156545791) is 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone is CC(=O)C1(c2nc(C)no2)CC1.
What is the InChIKey of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone?
The InChIKey is AZTHAPCRDAMKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(11)8(3-4-8)7-9-6(2)10-12-7/h3-4H2,1-2H3.
What are the key properties of 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone?
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone has a molecular weight of 166.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone is sourced from PubChem (CID 156545791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).