5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine

C16H15BrN4O — CID 133403761

IUPAC5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NCCc2nnc(-c3ccccc3)o2)ncc1Br
InChIInChI=1S/C16H15BrN4O/c1-11-9-14(19-10-13(11)17)18-8-7-15-20-21-16(22-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyQIHSDHJMBUMARZ-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.86
Rot. Bonds5

About 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine

5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 133403761) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID133403761
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NCCc2nnc(-c3ccccc3)o2)ncc1Br
InChIInChI=1S/C16H15BrN4O/c1-11-9-14(19-10-13(11)17)18-8-7-15-20-21-16(22-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyQIHSDHJMBUMARZ-UHFFFAOYSA-N
XLogP3.86
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine (CID 133403761) is 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine is Cc1cc(NCCc2nnc(-c3ccccc3)o2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is QIHSDHJMBUMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-11-9-14(19-10-13(11)17)18-8-7-15-20-21-16(22-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine?
5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 359.23 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133403761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).