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

C6H8N2O3 — CID 130671415

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one
SMILESCC(=O)COc1nc(C)no1
InChIInChI=1S/C6H8N2O3/c1-4(9)3-10-6-7-5(2)8-11-6/h3H2,1-2H3
InChIKeyJJSDGDAUIXJPHE-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.35
Rot. Bonds3

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one (PubChem CID 130671415) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one
PubChem CID130671415
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one
SMILESCC(=O)COc1nc(C)no1
InChIInChI=1S/C6H8N2O3/c1-4(9)3-10-6-7-5(2)8-11-6/h3H2,1-2H3
InChIKeyJJSDGDAUIXJPHE-UHFFFAOYSA-N
XLogP0.35
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 71932292
N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 71932293
(3-methyl-1,2,4-oxadiazol-5-yl) hydrogen carbonate
CID 68907025
(3-methyl-1,2,4-oxadiazol-5-yl) propanoate
CID 21312932
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783299
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide
CID 56783313
2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate
CID 56785140
3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole
CID 126987996
3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole
CID 56783323
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 137263733
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one (CID 130671415) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one is CC(=O)COc1nc(C)no1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one?
The InChIKey is JJSDGDAUIXJPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4(9)3-10-6-7-5(2)8-11-6/h3H2,1-2H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one has a molecular weight of 156.14 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one is sourced from PubChem (CID 130671415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).