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

C6H8BrN3O — CID 130839463

IUPACN-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESBrc1noc(CNC2CC2)n1
InChIInChI=1S/C6H8BrN3O/c7-6-9-5(11-10-6)3-8-4-1-2-4/h4,8H,1-3H2
InChIKeyBMAVDKFNNJQHGR-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.08
Rot. Bonds3

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

N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 130839463) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
PubChem CID130839463
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC NameN-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESBrc1noc(CNC2CC2)n1
InChIInChI=1S/C6H8BrN3O/c7-6-9-5(11-10-6)3-8-4-1-2-4/h4,8H,1-3H2
InChIKeyBMAVDKFNNJQHGR-UHFFFAOYSA-N
XLogP1.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-bromo-1,2,4-oxadiazol-5-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-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 112743560
N-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 116807158
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963
N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 79963502
N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 60836414
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 62716244
N-[[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 113299158
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 61374743
3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 112571580

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (CID 130839463) is N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is Brc1noc(CNC2CC2)n1.
What is the InChIKey of N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is BMAVDKFNNJQHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c7-6-9-5(11-10-6)3-8-4-1-2-4/h4,8H,1-3H2.
What are the key properties of N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 218.05 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 130839463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).