(3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine

C13H15BrFN3O — CID 43559851

IUPAC(3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC(C)(C)c1nc(C(N)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C13H15BrFN3O/c1-13(2,3)12-17-11(18-19-12)10(16)7-4-5-9(15)8(14)6-7/h4-6,10H,16H2,1-3H3
InChIKeyDZGWOEJYHFEYRU-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.32
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine

(3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559851) has the molecular formula C13H15BrFN3O and a molecular weight of 328.19 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559851
Molecular FormulaC13H15BrFN3O
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name(3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC(C)(C)c1nc(C(N)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C13H15BrFN3O/c1-13(2,3)12-17-11(18-19-12)10(16)7-4-5-9(15)8(14)6-7/h4-6,10H,16H2,1-3H3
InChIKeyDZGWOEJYHFEYRU-UHFFFAOYSA-N
XLogP3.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559851) is (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine is CC(C)(C)c1nc(C(N)c2ccc(F)c(Br)c2)no1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is DZGWOEJYHFEYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O/c1-13(2,3)12-17-11(18-19-12)10(16)7-4-5-9(15)8(14)6-7/h4-6,10H,16H2,1-3H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
(3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 328.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).