2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C14H20N4O — CID 65261140

IUPAC2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCc1cccc(-c2noc(C(C)(C)C(C)(C)N)n2)n1
InChIInChI=1S/C14H20N4O/c1-9-7-6-8-10(16-9)11-17-12(19-18-11)13(2,3)14(4,5)15/h6-8H,15H2,1-5H3
InChIKeyKFKZHAKRRKWURQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds3

About 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65261140) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65261140
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCc1cccc(-c2noc(C(C)(C)C(C)(C)N)n2)n1
InChIInChI=1S/C14H20N4O/c1-9-7-6-8-10(16-9)11-17-12(19-18-11)13(2,3)14(4,5)15/h6-8H,15H2,1-5H3
InChIKeyKFKZHAKRRKWURQ-UHFFFAOYSA-N
XLogP2.45
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65261140) is 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is Cc1cccc(-c2noc(C(C)(C)C(C)(C)N)n2)n1.
What is the InChIKey of 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is KFKZHAKRRKWURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-7-6-8-10(16-9)11-17-12(19-18-11)13(2,3)14(4,5)15/h6-8H,15H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 65261140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).