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

C14H21N3O — CID 81095790

IUPAC1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C14H21N3O/c1-15-7-12-16-17-14(18-12)13-10-3-8-2-9(5-10)6-11(13)4-8/h8-11,13,15H,2-7H2,1H3
InChIKeyHCPHNGQDCIOPBL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds3

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

1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 81095790) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID81095790
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C14H21N3O/c1-15-7-12-16-17-14(18-12)13-10-3-8-2-9(5-10)6-11(13)4-8/h8-11,13,15H,2-7H2,1H3
InChIKeyHCPHNGQDCIOPBL-UHFFFAOYSA-N
XLogP2.33
TPSA50.95 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(2-adamantyl)-1,3,4-oxadiazole
CID 16727838
1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62803519
N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 137345481
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138099
N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962276
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962753
N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55039643
1-[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106965550
2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 114827218
N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 114827216
N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81099798
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 81095790) is 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(C2C3CC4CC(C3)CC2C4)o1.
What is the InChIKey of 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is HCPHNGQDCIOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-7-12-16-17-14(18-12)13-10-3-8-2-9(5-10)6-11(13)4-8/h8-11,13,15H,2-7H2,1H3.
What are the key properties of 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 81095790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).