3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

C13H25N3O2 — CID 116733235

IUPAC3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCCC(OC)c1noc(C(CC)C(C)NC)n1
InChIInChI=1S/C13H25N3O2/c1-6-8-11(17-5)12-15-13(18-16-12)10(7-2)9(3)14-4/h9-11,14H,6-8H2,1-5H3
InChIKeyGMQNIEVLZLHRKK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.66
Rot. Bonds8

About 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 116733235) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID116733235
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCCC(OC)c1noc(C(CC)C(C)NC)n1
InChIInChI=1S/C13H25N3O2/c1-6-8-11(17-5)12-15-13(18-16-12)10(7-2)9(3)14-4/h9-11,14H,6-8H2,1-5H3
InChIKeyGMQNIEVLZLHRKK-UHFFFAOYSA-N
XLogP2.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 116733235) is 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCCC(OC)c1noc(C(CC)C(C)NC)n1.
What is the InChIKey of 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is GMQNIEVLZLHRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-8-11(17-5)12-15-13(18-16-12)10(7-2)9(3)14-4/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 116733235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).