[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine

C8H15N3O — CID 62677703

IUPAC[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCC(C)(C)c1nc(CN)no1
InChIInChI=1S/C8H15N3O/c1-4-8(2,3)7-10-6(5-9)11-12-7/h4-5,9H2,1-3H3
InChIKeyWRESFCDANXFMJS-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.22
Rot. Bonds3

About [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 62677703) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID62677703
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCC(C)(C)c1nc(CN)no1
InChIInChI=1S/C8H15N3O/c1-4-8(2,3)7-10-6(5-9)11-12-7/h4-5,9H2,1-3H3
InChIKeyWRESFCDANXFMJS-UHFFFAOYSA-N
XLogP1.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 62677703) is [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is CCC(C)(C)c1nc(CN)no1.
What is the InChIKey of [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is WRESFCDANXFMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-8(2,3)7-10-6(5-9)11-12-7/h4-5,9H2,1-3H3.
What are the key properties of [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 169.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 62677703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).