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

C15H23N3O — CID 62653708

IUPAC2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H23N3O/c1-9(8-16)13-17-14(19-18-13)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8,16H2,1H3
InChIKeyOUAYWANNPYXSSF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds3

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

2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62653708) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62653708
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H23N3O/c1-9(8-16)13-17-14(19-18-13)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8,16H2,1H3
InChIKeyOUAYWANNPYXSSF-UHFFFAOYSA-N
XLogP2.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62653708) is 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(CN)c1noc(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is OUAYWANNPYXSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(8-16)13-17-14(19-18-13)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8,16H2,1H3.
What are the key properties of 2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.60, 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]propan-1-amine is sourced from PubChem (CID 62653708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).