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

C10H9BrFN3O — CID 43559246

IUPAC(3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C10H9BrFN3O/c1-5-14-10(15-16-5)9(13)6-2-3-8(12)7(11)4-6/h2-4,9H,13H2,1H3
InChIKeyXGVLNMILKMBAIV-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.33
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559246) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559246
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name(3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C10H9BrFN3O/c1-5-14-10(15-16-5)9(13)6-2-3-8(12)7(11)4-6/h2-4,9H,13H2,1H3
InChIKeyXGVLNMILKMBAIV-UHFFFAOYSA-N
XLogP2.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.33
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-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559246) is (3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is Cc1nc(C(N)c2ccc(F)c(Br)c2)no1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is XGVLNMILKMBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-5-14-10(15-16-5)9(13)6-2-3-8(12)7(11)4-6/h2-4,9H,13H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
(3-bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 286.10 g/mol, XLogP of 2.33, 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-methyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).