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

C8H12N2O2 — CID 58326632

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
SMILESCCC(=O)CCc1nc(C)no1
InChIInChI=1S/C8H12N2O2/c1-3-7(11)4-5-8-9-6(2)10-12-8/h3-5H2,1-2H3
InChIKeyDWXDWIVTMZMHHP-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.29
Rot. Bonds4

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

1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one (PubChem CID 58326632) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
PubChem CID58326632
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
SMILESCCC(=O)CCc1nc(C)no1
InChIInChI=1S/C8H12N2O2/c1-3-7(11)4-5-8-9-6(2)10-12-8/h3-5H2,1-2H3
InChIKeyDWXDWIVTMZMHHP-UHFFFAOYSA-N
XLogP1.29
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60989687
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
N-(4-hydroxy-2-methylbutan-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115869991
3-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 64672859
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid
CID 43469726
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one (CID 58326632) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one is CCC(=O)CCc1nc(C)no1.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
The InChIKey is DWXDWIVTMZMHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7(11)4-5-8-9-6(2)10-12-8/h3-5H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one has a molecular weight of 168.20 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one is sourced from PubChem (CID 58326632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).