N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine

C16H24N4O — CID 106966105

IUPACN-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESC(NC1CC1)c1nnc(NC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H24N4O/c1-2-13(1)17-9-14-19-20-15(21-14)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13,17H,1-9H2,(H,18,20)
InChIKeyWFPZBUXQNSLLTA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.70
Rot. Bonds5

About N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966105) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966105
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESC(NC1CC1)c1nnc(NC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H24N4O/c1-2-13(1)17-9-14-19-20-15(21-14)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13,17H,1-9H2,(H,18,20)
InChIKeyWFPZBUXQNSLLTA-UHFFFAOYSA-N
XLogP2.70
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961284
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378
5-[(cyclopropylamino)methyl]-N-(3,4-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962068
N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962943
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960369
5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961019
5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106327738
5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114117627
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106966105) is N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is C(NC1CC1)c1nnc(NC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WFPZBUXQNSLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-13(1)17-9-14-19-20-15(21-14)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13,17H,1-9H2,(H,18,20).
What are the key properties of N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).