2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine

C10H19N3O2 — CID 104636424

IUPAC2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
SMILESCCC(C)c1nc(C(C)(N)COC)no1
InChIInChI=1S/C10H19N3O2/c1-5-7(2)8-12-9(13-15-8)10(3,11)6-14-4/h7H,5-6,11H2,1-4H3
InChIKeyCXHAQWKXFGGGGT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds5

About 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine

2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine (PubChem CID 104636424) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
PubChem CID104636424
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
SMILESCCC(C)c1nc(C(C)(N)COC)no1
InChIInChI=1S/C10H19N3O2/c1-5-7(2)8-12-9(13-15-8)10(3,11)6-14-4/h7H,5-6,11H2,1-4H3
InChIKeyCXHAQWKXFGGGGT-UHFFFAOYSA-N
XLogP1.40
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637345
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718
2-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 114212439
1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636674
1-methoxy-2-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636505
2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636347
2-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636396
1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103310878
1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107940748
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
1-methoxy-2-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636589
1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435625

Frequently Asked Questions

What is the IUPAC name of 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The IUPAC name of 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine (CID 104636424) is 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine.
What is the SMILES notation for 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The canonical SMILES for 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine is CCC(C)c1nc(C(C)(N)COC)no1.
What is the InChIKey of 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The InChIKey is CXHAQWKXFGGGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-7(2)8-12-9(13-15-8)10(3,11)6-14-4/h7H,5-6,11H2,1-4H3.
What are the key properties of 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine has a molecular weight of 213.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine is sourced from PubChem (CID 104636424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).