1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine

C11H13BrN4O — CID 107525506

IUPAC1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1noc(-c2ncccc2Br)n1
InChIInChI=1S/C11H13BrN4O/c1-6(2)8(13)10-15-11(17-16-10)9-7(12)4-3-5-14-9/h3-6,8H,13H2,1-2H3
InChIKeyVUZYIRGVJHLJOF-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.55
Rot. Bonds3

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

1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (PubChem CID 107525506) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
PubChem CID107525506
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1noc(-c2ncccc2Br)n1
InChIInChI=1S/C11H13BrN4O/c1-6(2)8(13)10-15-11(17-16-10)9-7(12)4-3-5-14-9/h3-6,8H,13H2,1-2H3
InChIKeyVUZYIRGVJHLJOF-UHFFFAOYSA-N
XLogP2.55
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
2-amino-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633379
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 104615612
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324822
1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113398129
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61324207
1-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324411
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116703194
1-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634412
5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136966696

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (CID 107525506) is 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is CC(C)C(N)c1noc(-c2ncccc2Br)n1.
What is the InChIKey of 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is VUZYIRGVJHLJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-6(2)8(13)10-15-11(17-16-10)9-7(12)4-3-5-14-9/h3-6,8H,13H2,1-2H3.
What are the key properties of 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 297.16 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 107525506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).