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

C12H23N3O2 — CID 116701630

IUPAC5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
SMILESCCC(OC)c1noc(CCC(C)CCN)n1
InChIInChI=1S/C12H23N3O2/c1-4-10(16-3)12-14-11(17-15-12)6-5-9(2)7-8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyHSFHRVSNVGZBKO-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.08
Rot. Bonds8

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

5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine (PubChem CID 116701630) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
PubChem CID116701630
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
SMILESCCC(OC)c1noc(CCC(C)CCN)n1
InChIInChI=1S/C12H23N3O2/c1-4-10(16-3)12-14-11(17-15-12)6-5-9(2)7-8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyHSFHRVSNVGZBKO-UHFFFAOYSA-N
XLogP2.08
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116701700
N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116701643
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101
3-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116701865
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 65393884
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325212
3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 116701753
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103472639
3-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329879

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
The IUPAC name of 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine (CID 116701630) is 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine.
What is the SMILES notation for 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
The canonical SMILES for 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine is CCC(OC)c1noc(CCC(C)CCN)n1.
What is the InChIKey of 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
The InChIKey is HSFHRVSNVGZBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-10(16-3)12-14-11(17-15-12)6-5-9(2)7-8-13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine is sourced from PubChem (CID 116701630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).