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

C6H8N2O2 — CID 12955451

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1noc(C)n1
InChIInChI=1S/C6H8N2O2/c1-4(9)3-6-7-5(2)10-8-6/h3H2,1-2H3
InChIKeyXRHORKDVAJJVLD-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.51
Rot. Bonds2

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

1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one (PubChem CID 12955451) 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-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
PubChem CID12955451
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1noc(C)n1
InChIInChI=1S/C6H8N2O2/c1-4(9)3-6-7-5(2)10-8-6/h3H2,1-2H3
InChIKeyXRHORKDVAJJVLD-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

N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110609819
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110415619
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
CID 130009449
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110428877
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
CID 107911873
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one (CID 12955451) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one is CC(=O)Cc1noc(C)n1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The InChIKey is XRHORKDVAJJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(9)3-6-7-5(2)10-8-6/h3H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one?
1-(5-methyl-1,2,4-oxadiazol-3-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-methyl-1,2,4-oxadiazol-3-yl)propan-2-one is sourced from PubChem (CID 12955451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).