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

C11H11BrFN3O — CID 43559376

IUPAC(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C11H11BrFN3O/c1-2-9-15-11(16-17-9)10(14)6-3-4-8(13)7(12)5-6/h3-5,10H,2,14H2,1H3
InChIKeyRBGNFXFYRUPVJW-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.58
Rot. Bonds3

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

(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559376) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559376
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C11H11BrFN3O/c1-2-9-15-11(16-17-9)10(14)6-3-4-8(13)7(12)5-6/h3-5,10H,2,14H2,1H3
InChIKeyRBGNFXFYRUPVJW-UHFFFAOYSA-N
XLogP2.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 63647944
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65101203
(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559740
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 43559370
(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43753558
(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346436
(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106531793
(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
CID 79746840
1-(3-bromo-4-fluorophenyl)-3-ethylpentan-1-amine
CID 82922100
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559376) is (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine is CCc1nc(C(N)c2ccc(F)c(Br)c2)no1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is RBGNFXFYRUPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-2-9-15-11(16-17-9)10(14)6-3-4-8(13)7(12)5-6/h3-5,10H,2,14H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 300.13 g/mol, XLogP of 2.58, 3 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-ethyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).