3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

C13H25N3O2 — CID 116733099

IUPAC3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCCC(OC)c1noc(C(C(C)C)C(C)NC)n1
InChIInChI=1S/C13H25N3O2/c1-7-10(17-6)12-15-13(18-16-12)11(8(2)3)9(4)14-5/h8-11,14H,7H2,1-6H3
InChIKeyKEEFVCDVMLQXHM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.51
Rot. Bonds7

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

3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 116733099) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID116733099
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCCC(OC)c1noc(C(C(C)C)C(C)NC)n1
InChIInChI=1S/C13H25N3O2/c1-7-10(17-6)12-15-13(18-16-12)11(8(2)3)9(4)14-5/h8-11,14H,7H2,1-6H3
InChIKeyKEEFVCDVMLQXHM-UHFFFAOYSA-N
XLogP2.51
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733157
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733247
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733235
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733060
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733133
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 63892419
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
CID 116730899
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
CID 116701872
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 65138099

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 116733099) is 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CCC(OC)c1noc(C(C(C)C)C(C)NC)n1.
What is the InChIKey of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is KEEFVCDVMLQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-7-10(17-6)12-15-13(18-16-12)11(8(2)3)9(4)14-5/h8-11,14H,7H2,1-6H3.
What are the key properties of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116733099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).