1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one

C6H8N2O2 — CID 142391615

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
SMILESCCC(=O)c1noc(C)n1
InChIInChI=1S/C6H8N2O2/c1-3-5(9)6-7-4(2)10-8-6/h3H2,1-2H3
InChIKeyOLPHBAICZUBGGE-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.97
Rot. Bonds2

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one

1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one (PubChem CID 142391615) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
PubChem CID142391615
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
SMILESCCC(=O)c1noc(C)n1
InChIInChI=1S/C6H8N2O2/c1-3-5(9)6-7-4(2)10-8-6/h3H2,1-2H3
InChIKeyOLPHBAICZUBGGE-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
CID 115429755
3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
CID 123960870
1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
CID 122632912
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 65191352
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide
CID 23586807
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
N,N-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethenamine
CID 123763792
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
CID 79653066
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one (CID 142391615) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one is CCC(=O)c1noc(C)n1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one?
The InChIKey is OLPHBAICZUBGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-5(9)6-7-4(2)10-8-6/h3H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one?
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one has a molecular weight of 140.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one is sourced from PubChem (CID 142391615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).