3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine

C14H8BrF3N4O — CID 134136485

IUPAC3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H8BrF3N4O/c15-8-3-1-7(2-4-8)12-21-22-13(23-12)9-5-6-10(14(16,17)18)20-11(9)19/h1-6H,(H2,19,20)
InChIKeyIQQOTYPBOYKJJG-UHFFFAOYSA-N
MW385.14 g/mol
LogP4.16
Rot. Bonds2

About 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine

3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 134136485) has the molecular formula C14H8BrF3N4O and a molecular weight of 385.14 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID134136485
Molecular FormulaC14H8BrF3N4O
Molecular Weight385.14 g/mol
Exact Mass383.98
IUPAC Name3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H8BrF3N4O/c15-8-3-1-7(2-4-8)12-21-22-13(23-12)9-5-6-10(14(16,17)18)20-11(9)19/h1-6H,(H2,19,20)
InChIKeyIQQOTYPBOYKJJG-UHFFFAOYSA-N
XLogP4.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134132159
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134141890
N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
CID 134143847
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 134143904
N-(3-fluorophenyl)-3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 134146064
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 134153275
6-(Trifluoromethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 134154158
5-Bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 118110155
5-Bromo-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 118110232
3-(5-Ethyl-1,3,4-oxadiazol-2-yl)-6-methylpyridin-2-amine
CID 58399228
5-Bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 67481594
6-Methyl-3-(5-propyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 68257930

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine (CID 134136485) is 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine is Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IQQOTYPBOYKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N4O/c15-8-3-1-7(2-4-8)12-21-22-13(23-12)9-5-6-10(14(16,17)18)20-11(9)19/h1-6H,(H2,19,20).
What are the key properties of 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 385.14 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134136485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).