2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole

C9H12ClN3O — CID 106957150

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(N2CC3CCC2C3)o1
InChIInChI=1S/C9H12ClN3O/c10-4-8-11-12-9(14-8)13-5-6-1-2-7(13)3-6/h6-7H,1-5H2
InChIKeyLPTDKCZOICRNHF-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.80
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole

2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole (PubChem CID 106957150) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole
PubChem CID106957150
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(N2CC3CCC2C3)o1
InChIInChI=1S/C9H12ClN3O/c10-4-8-11-12-9(14-8)13-5-6-1-2-7(13)3-6/h6-7H,1-5H2
InChIKeyLPTDKCZOICRNHF-UHFFFAOYSA-N
XLogP1.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole 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-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-amine
CID 103436822
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106971050
2-(chloromethyl)-5-(2-propylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106958331
[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]thiomorpholin-3-yl]methanol
CID 131052547
1-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-3-ol
CID 106958843
2-(3-chloro-1,2,4-triazin-5-yl)-2-azabicyclo[2.2.1]heptane
CID 114999242
1-[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106965550
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine
CID 62142512
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106959062
2-(2-chloroethyl)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3,4-oxadiazole
CID 106958049
2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 63588413
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole (CID 106957150) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole is ClCc1nnc(N2CC3CCC2C3)o1.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole?
The InChIKey is LPTDKCZOICRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-4-8-11-12-9(14-8)13-5-6-1-2-7(13)3-6/h6-7H,1-5H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole has a molecular weight of 213.67 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 106957150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).