N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C13H19N3O — CID 55039643

IUPACN-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC(NC1CC1)c1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C13H19N3O/c1-2-9-5-8(1)6-11(9)13-16-15-12(17-13)7-14-10-3-4-10/h8-11,14H,1-7H2
InChIKeyBBJZHQJVMIMIKW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds4

About N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55039643) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID55039643
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC(NC1CC1)c1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C13H19N3O/c1-2-9-5-8(1)6-11(9)13-16-15-12(17-13)7-14-10-3-4-10/h8-11,14H,1-7H2
InChIKeyBBJZHQJVMIMIKW-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine 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

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961284
N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 114241670
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070959
N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966105
5-[(cyclopropylamino)methyl]-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 82468411
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106963915
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106960974
5-[(cyclopropylamino)methyl]-N-(3,4-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962068
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 55039643) is N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is C(NC1CC1)c1nnc(C2CC3CCC2C3)o1.
What is the InChIKey of N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is BBJZHQJVMIMIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-9-5-8(1)6-11(9)13-16-15-12(17-13)7-14-10-3-4-10/h8-11,14H,1-7H2.
What are the key properties of N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55039643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).