1-(5-methyloxadiazol-4-yl)propan-2-one

C6H8N2O2 — CID 84648492

IUPAC1-(5-methyloxadiazol-4-yl)propan-2-one
SMILESCC(=O)Cc1nnoc1C
InChIInChI=1S/C6H8N2O2/c1-4(9)3-6-5(2)10-8-7-6/h3H2,1-2H3
InChIKeyAZPPTNHRJDKTFB-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.51
Rot. Bonds2

About 1-(5-methyloxadiazol-4-yl)propan-2-one

1-(5-methyloxadiazol-4-yl)propan-2-one (PubChem CID 84648492) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-(5-methyloxadiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methyloxadiazol-4-yl)propan-2-one
PubChem CID84648492
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-(5-methyloxadiazol-4-yl)propan-2-one
SMILESCC(=O)Cc1nnoc1C
InChIInChI=1S/C6H8N2O2/c1-4(9)3-6-5(2)10-8-7-6/h3H2,1-2H3
InChIKeyAZPPTNHRJDKTFB-UHFFFAOYSA-N
XLogP0.51
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyloxadiazol-4-yl)propan-2-one
CID 23179912
(5-methyloxadiazol-4-yl)methanamine
CID 84647684
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
1-(1H-diazirin-3-yl)propan-2-one
CID 175432334
1-(1,4-dimethylpyrazol-3-yl)propan-2-one
CID 82594981
1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one
CID 83876335
6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione
CID 13001214
1-(4-methyl-1,3-oxazol-2-yl)propan-2-one
CID 82593984
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
CID 66327163
1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one
CID 118121067
1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one
CID 83858925

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxadiazol-4-yl)propan-2-one?
The IUPAC name of 1-(5-methyloxadiazol-4-yl)propan-2-one (CID 84648492) is 1-(5-methyloxadiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(5-methyloxadiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(5-methyloxadiazol-4-yl)propan-2-one is CC(=O)Cc1nnoc1C.
What is the InChIKey of 1-(5-methyloxadiazol-4-yl)propan-2-one?
The InChIKey is AZPPTNHRJDKTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(9)3-6-5(2)10-8-7-6/h3H2,1-2H3.
What are the key properties of 1-(5-methyloxadiazol-4-yl)propan-2-one?
1-(5-methyloxadiazol-4-yl)propan-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxadiazol-4-yl)propan-2-one is sourced from PubChem (CID 84648492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).