N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine

C17H27N3O — CID 123326841

IUPACN-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
SMILESCCC(C)c1nc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C17H27N3O/c1-3-11(2)16-19-15(20-21-16)10-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,3-10H2,1-2H3
InChIKeyWJEPPMMJGCEFFI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.64
Rot. Bonds5

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

N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine (PubChem CID 123326841) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
PubChem CID123326841
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
SMILESCCC(C)c1nc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C17H27N3O/c1-3-11(2)16-19-15(20-21-16)10-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,3-10H2,1-2H3
InChIKeyWJEPPMMJGCEFFI-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine (CID 123326841) is N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine is CCC(C)c1nc(CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?
The InChIKey is WJEPPMMJGCEFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-11(2)16-19-15(20-21-16)10-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,3-10H2,1-2H3.
What are the key properties of N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?
N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butan-2-yl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 123326841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).