1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

C15H23N3O — CID 79987157

IUPAC1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H23N3O/c1-16-9-13-17-14(19-18-13)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12,16H,2-9H2,1H3
InChIKeyXVIJIFDUBXGMAB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds4

About 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (PubChem CID 79987157) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
PubChem CID79987157
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H23N3O/c1-16-9-13-17-14(19-18-13)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12,16H,2-9H2,1H3
InChIKeyXVIJIFDUBXGMAB-UHFFFAOYSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-(1-adamantylmethyl)-3-chloro-1,2,4-oxadiazole
CID 112571971
2-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79989376
5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine
CID 175525723
1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879933
5-[(3-bromo-1-adamantyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 75512046
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 103166233
N-methyl-1-[5-[(1-methylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078585
1-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 55065514
N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 104879922
1-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078575
[5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 79987304
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078397

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (CID 79987157) is 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is CNCc1noc(CC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The InChIKey is XVIJIFDUBXGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-9-13-17-14(19-18-13)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12,16H,2-9H2,1H3.
What are the key properties of 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79987157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).