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

C14H21N3O — CID 79987304

IUPAC[5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H21N3O/c15-8-13-17-16-12(18-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8,15H2
InChIKeyKTPLOUDCWRODRH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds3

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

[5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 79987304) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID79987304
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H21N3O/c15-8-13-17-16-12(18-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8,15H2
InChIKeyKTPLOUDCWRODRH-UHFFFAOYSA-N
XLogP2.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine 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

2-(1-Adamantyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 59626828
2-(1-Adamantyl)-5-butyl-1,3,4-oxadiazole
CID 59656022
2-(1-Adamantyl)-5-propyl-1,3,4-oxadiazole
CID 59656139
2-(1-Adamantyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 59656164
2-(1-Adamantyl)-5-methyl-1,3,4-oxadiazole
CID 86075322
2-(3,5-Dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole
CID 19552810
2-(1-Adamantylmethyl)-5-methyl-1,3,4-oxadiazole
CID 19554624
5-Adamantanyl-2-(adamantanylmethyl)-1,3,4-oxadiazole
CID 19582776
[5-(4-Butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034717
1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55039558
2-[5-(1-Adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071805
1-[5-(1-Adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071998

Frequently Asked Questions

What is the IUPAC name of [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 79987304) is [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(CC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is KTPLOUDCWRODRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-8-13-17-16-12(18-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8,15H2.
What are the key properties of [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 79987304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).