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

C11H18N2O2 — CID 63344414

IUPAC4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCCCc1noc(C(C(C)=O)C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-5-6-9-12-11(15-13-9)10(7(2)3)8(4)14/h7,10H,5-6H2,1-4H3
InChIKeyJBOKHFAVKBARMC-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.35
Rot. Bonds5

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

4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one (PubChem CID 63344414) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one
PubChem CID63344414
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCCCc1noc(C(C(C)=O)C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-5-6-9-12-11(15-13-9)10(7(2)3)8(4)14/h7,10H,5-6H2,1-4H3
InChIKeyJBOKHFAVKBARMC-UHFFFAOYSA-N
XLogP2.35
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 79965293
4-methyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 55202198
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116808735
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346626
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
4-methyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345504
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
3-[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 112743797
ethyl 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylbutanoate
CID 79481197
4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344584
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 79020202

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The IUPAC name of 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one (CID 63344414) is 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The canonical SMILES for 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one is CCCc1noc(C(C(C)=O)C(C)C)n1.
What is the InChIKey of 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The InChIKey is JBOKHFAVKBARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-6-9-12-11(15-13-9)10(7(2)3)8(4)14/h7,10H,5-6H2,1-4H3.
What are the key properties of 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one?
4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one is sourced from PubChem (CID 63344414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).