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

C7H13N3O — CID 79798752

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)no1
InChIInChI=1S/C7H13N3O/c1-4-7(3,8)6-9-5(2)10-11-6/h4,8H2,1-3H3
InChIKeyVUYZHZVVPAQDRU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds2

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 79798752) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID79798752
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)no1
InChIInChI=1S/C7H13N3O/c1-4-7(3,8)6-9-5(2)10-11-6/h4,8H2,1-3H3
InChIKeyVUYZHZVVPAQDRU-UHFFFAOYSA-N
XLogP0.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 79798752) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCC(C)(N)c1nc(C)no1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is VUYZHZVVPAQDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-7(3,8)6-9-5(2)10-11-6/h4,8H2,1-3H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 155.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 79798752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).