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

C16H25N3O — CID 61324476

IUPAC2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H25N3O/c1-3-15(2,17)13-18-14(20-19-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,3-9,17H2,1-2H3
InChIKeyYTVIJMCTAQNOFH-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.12
Rot. Bonds3

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

2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 61324476) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID61324476
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H25N3O/c1-3-15(2,17)13-18-14(20-19-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,3-9,17H2,1-2H3
InChIKeyYTVIJMCTAQNOFH-UHFFFAOYSA-N
XLogP3.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 61324476) is 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is YTVIJMCTAQNOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-15(2,17)13-18-14(20-19-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,3-9,17H2,1-2H3.
What are the key properties of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 61324476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).