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

C11H11BrN4O — CID 62138139

IUPACN-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1cncc(-c2nnc(CNC3CC3)o2)c1
InChIInChI=1S/C11H11BrN4O/c12-8-3-7(4-13-5-8)11-16-15-10(17-11)6-14-9-1-2-9/h3-5,9,14H,1-2,6H2
InChIKeyHGXZERCXLWYHTN-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.15
Rot. Bonds4

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

N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62138139) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62138139
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1cncc(-c2nnc(CNC3CC3)o2)c1
InChIInChI=1S/C11H11BrN4O/c12-8-3-7(4-13-5-8)11-16-15-10(17-11)6-14-9-1-2-9/h3-5,9,14H,1-2,6H2
InChIKeyHGXZERCXLWYHTN-UHFFFAOYSA-N
XLogP2.15
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
N-[[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 63189771
2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
CID 46739504
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162541
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138702
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62136870
2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771628
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62136875
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 60702922

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62138139) is N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Brc1cncc(-c2nnc(CNC3CC3)o2)c1.
What is the InChIKey of N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is HGXZERCXLWYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-8-3-7(4-13-5-8)11-16-15-10(17-11)6-14-9-1-2-9/h3-5,9,14H,1-2,6H2.
What are the key properties of N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 295.14 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62138139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).