5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine

C8H16N4O2 — CID 106962109

IUPAC5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(COC)Nc1nnc(CN)o1
InChIInChI=1S/C8H16N4O2/c1-3-6(5-13-2)10-8-12-11-7(4-9)14-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyOCUBHBQWUGIIJU-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.37
Rot. Bonds6

About 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962109) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106962109
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(COC)Nc1nnc(CN)o1
InChIInChI=1S/C8H16N4O2/c1-3-6(5-13-2)10-8-12-11-7(4-9)14-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyOCUBHBQWUGIIJU-UHFFFAOYSA-N
XLogP0.37
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106962109) is 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine is CCC(COC)Nc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OCUBHBQWUGIIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-3-6(5-13-2)10-8-12-11-7(4-9)14-8/h6H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 200.24 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).