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

C12H11BrFN3O — CID 43559740

IUPAC(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1noc(C2CC2)n1
InChIInChI=1S/C12H11BrFN3O/c13-8-5-7(3-4-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyLLBIYICXIAWEHB-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.90
Rot. Bonds3

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

(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559740) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559740
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1noc(C2CC2)n1
InChIInChI=1S/C12H11BrFN3O/c13-8-5-7(3-4-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyLLBIYICXIAWEHB-UHFFFAOYSA-N
XLogP2.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 54980431
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
CID 43559726
(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559376
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43559769
(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346630
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 115959894
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 82787758
(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
CID 93243858
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559740) is (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is NC(c1ccc(F)c(Br)c1)c1noc(C2CC2)n1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is LLBIYICXIAWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c13-8-5-7(3-4-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 312.14 g/mol, XLogP of 2.90, 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-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).