5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C13H8BrFN4O — CID 118110232

IUPAC5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H8BrFN4O/c14-8-5-10(11(16)17-6-8)13-19-18-12(20-13)7-1-3-9(15)4-2-7/h1-6H,(H2,16,17)
InChIKeyYVKDRMVYAYDCEB-UHFFFAOYSA-N
MW335.14 g/mol
LogP3.28
Rot. Bonds2

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

5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 118110232) has the molecular formula C13H8BrFN4O and a molecular weight of 335.14 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID118110232
Molecular FormulaC13H8BrFN4O
Molecular Weight335.14 g/mol
Exact Mass333.99
IUPAC Name5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H8BrFN4O/c14-8-5-10(11(16)17-6-8)13-19-18-12(20-13)7-1-3-9(15)4-2-7/h1-6H,(H2,16,17)
InChIKeyYVKDRMVYAYDCEB-UHFFFAOYSA-N
XLogP3.28
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 823507
3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740481
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 740477
3-(5-(1-Methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl)-5-(p-tolyl)pyridin-2-amine
CID 77105955
5-(5-(4-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 162722250
N-(pyridin-4-ylmethyl)-3-(5-(3-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 53318517
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(4-methylphenyl)pyridin-2-amine
CID 137636366
3-bromo-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
5-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 76325788
5-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 76333017
5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 150590039
3-[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134136485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 118110232) is 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is Nc1ncc(Br)cc1-c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is YVKDRMVYAYDCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4O/c14-8-5-10(11(16)17-6-8)13-19-18-12(20-13)7-1-3-9(15)4-2-7/h1-6H,(H2,16,17).
What are the key properties of 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 335.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 118110232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).