1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one

C14H24N2O3 — CID 116780262

IUPAC1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
SMILESCCC(CC)(OC)c1noc(CC(=O)CC(C)C)n1
InChIInChI=1S/C14H24N2O3/c1-6-14(7-2,18-5)13-15-12(19-16-13)9-11(17)8-10(3)4/h10H,6-9H2,1-5H3
InChIKeyDLNURKOORPJDJW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.89
Rot. Bonds8

About 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one

1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one (PubChem CID 116780262) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
PubChem CID116780262
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
SMILESCCC(CC)(OC)c1noc(CC(=O)CC(C)C)n1
InChIInChI=1S/C14H24N2O3/c1-6-14(7-2,18-5)13-15-12(19-16-13)9-11(17)8-10(3)4/h10H,6-9H2,1-5H3
InChIKeyDLNURKOORPJDJW-UHFFFAOYSA-N
XLogP2.89
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116780257
ethyl 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 116744036
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 116744032
[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116741094
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741088
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741092
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 107504612
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 116808797
2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483677
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116732728
4-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 115531350

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one?
The IUPAC name of 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one (CID 116780262) is 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one?
The canonical SMILES for 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one is CCC(CC)(OC)c1noc(CC(=O)CC(C)C)n1.
What is the InChIKey of 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one?
The InChIKey is DLNURKOORPJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-14(7-2,18-5)13-15-12(19-16-13)9-11(17)8-10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one?
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one is sourced from PubChem (CID 116780262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).