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

C11H21N3O — CID 62679022

IUPAC1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C(C)(C)CC)n1
InChIInChI=1S/C11H21N3O/c1-5-8(12)7-9-13-10(15-14-9)11(3,4)6-2/h8H,5-7,12H2,1-4H3
InChIKeyVZHDFQFULRZXJA-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.04
Rot. Bonds5

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

1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 62679022) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID62679022
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C(C)(C)CC)n1
InChIInChI=1S/C11H21N3O/c1-5-8(12)7-9-13-10(15-14-9)11(3,4)6-2/h8H,5-7,12H2,1-4H3
InChIKeyVZHDFQFULRZXJA-UHFFFAOYSA-N
XLogP2.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 62679022) is 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(N)Cc1noc(C(C)(C)CC)n1.
What is the InChIKey of 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is VZHDFQFULRZXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-8(12)7-9-13-10(15-14-9)11(3,4)6-2/h8H,5-7,12H2,1-4H3.
What are the key properties of 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 62679022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).