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

C10H11BrN4O — CID 62162541

IUPAC2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C10H11BrN4O/c1-12-3-2-9-14-15-10(16-9)7-4-8(11)6-13-5-7/h4-6,12H,2-3H2,1H3
InChIKeyNZULEKIWOBPVDS-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.66
Rot. Bonds4

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

2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62162541) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62162541
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C10H11BrN4O/c1-12-3-2-9-14-15-10(16-9)7-4-8(11)6-13-5-7/h4-6,12H,2-3H2,1H3
InChIKeyNZULEKIWOBPVDS-UHFFFAOYSA-N
XLogP1.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
CID 46739504
2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114018627
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138139
2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771628
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124213
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
3-[5-(4-bromo-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 113396982

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62162541) is 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNCCc1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is NZULEKIWOBPVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-12-3-2-9-14-15-10(16-9)7-4-8(11)6-13-5-7/h4-6,12H,2-3H2,1H3.
What are the key properties of 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 283.13 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62162541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).