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

C15H13BrN4O — CID 81311972

IUPAC[2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESNCc1ccccc1Cc1nc(-c2cncc(Br)c2)no1
InChIInChI=1S/C15H13BrN4O/c16-13-5-12(8-18-9-13)15-19-14(21-20-15)6-10-3-1-2-4-11(10)7-17/h1-5,8-9H,6-7,17H2
InChIKeyVXZGXDXIYUWCHS-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.94
Rot. Bonds4

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

[2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (PubChem CID 81311972) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
PubChem CID81311972
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name[2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESNCc1ccccc1Cc1nc(-c2cncc(Br)c2)no1
InChIInChI=1S/C15H13BrN4O/c16-13-5-12(8-18-9-13)15-19-14(21-20-15)6-10-3-1-2-4-11(10)7-17/h1-5,8-9H,6-7,17H2
InChIKeyVXZGXDXIYUWCHS-UHFFFAOYSA-N
XLogP2.94
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81312269
[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 82895451
2-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 66423409
N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine
CID 166361765
(1S)-2-amino-1-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837133
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526135
[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318498
5-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700949
4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676829
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
[2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81317850

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The IUPAC name of [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (CID 81311972) is [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The canonical SMILES for [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is NCc1ccccc1Cc1nc(-c2cncc(Br)c2)no1.
What is the InChIKey of [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The InChIKey is VXZGXDXIYUWCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-13-5-12(8-18-9-13)15-19-14(21-20-15)6-10-3-1-2-4-11(10)7-17/h1-5,8-9H,6-7,17H2.
What are the key properties of [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
[2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine has a molecular weight of 345.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 81311972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).