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

C10H11BrN4O — CID 62163737

IUPAC1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C10H11BrN4O/c1-6(12-2)9-14-15-10(16-9)7-3-8(11)5-13-4-7/h3-6,12H,1-2H3
InChIKeyYERBLHHYZBZLEE-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.17
Rot. Bonds3

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

1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62163737) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62163737
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C10H11BrN4O/c1-6(12-2)9-14-15-10(16-9)7-3-8(11)5-13-4-7/h3-6,12H,1-2H3
InChIKeyYERBLHHYZBZLEE-UHFFFAOYSA-N
XLogP2.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62163737) is 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is YERBLHHYZBZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-6(12-2)9-14-15-10(16-9)7-3-8(11)5-13-4-7/h3-6,12H,1-2H3.
What are the key properties of 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 283.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62163737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).