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

C15H23N3O — CID 81095880

IUPAC2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C15H23N3O/c1-8(7-16)14-17-15(19-18-14)13-11-3-9-2-10(5-11)6-12(13)4-9/h8-13H,2-7,16H2,1H3
InChIKeyKNIXEOGUAZTONZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.67
Rot. Bonds3

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

2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 81095880) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID81095880
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C15H23N3O/c1-8(7-16)14-17-15(19-18-14)13-11-3-9-2-10(5-11)6-12(13)4-9/h8-13H,2-7,16H2,1H3
InChIKeyKNIXEOGUAZTONZ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653708
2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652420
2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79206750
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 131154498
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634579
2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 62653143
2,5-bis(2-adamantyl)-1,3,4-oxadiazole
CID 16727838
1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633796
5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine
CID 81096263
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652975
1-[5-(3-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633756

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 81095880) is 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(CN)c1noc(C2C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is KNIXEOGUAZTONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-8(7-16)14-17-15(19-18-14)13-11-3-9-2-10(5-11)6-12(13)4-9/h8-13H,2-7,16H2,1H3.
What are the key properties of 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 81095880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).