[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine

C12H11BrFN3O — CID 82809079

IUPAC[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
SMILESNC(c1nc(-c2ccc(F)c(Br)c2)no1)C1CC1
InChIInChI=1S/C12H11BrFN3O/c13-8-5-7(3-4-9(8)14)11-16-12(18-17-11)10(15)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyZGARDICBDYEBAZ-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.05
Rot. Bonds3

About [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine

[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine (PubChem CID 82809079) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
PubChem CID82809079
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
SMILESNC(c1nc(-c2ccc(F)c(Br)c2)no1)C1CC1
InChIInChI=1S/C12H11BrFN3O/c13-8-5-7(3-4-9(8)14)11-16-12(18-17-11)10(15)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyZGARDICBDYEBAZ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61015748
[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 63092258
3-(3-bromo-4-fluorophenyl)-5-(1-chloroethyl)-1,2,4-oxadiazole
CID 82797957
[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 107537138
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 82802644
[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 114329286
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61017069
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61014151
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61016877
[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 113398135
3-(3-bromo-4-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 82788334
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
The IUPAC name of [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine (CID 82809079) is [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine.
What is the SMILES notation for [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
The canonical SMILES for [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine is NC(c1nc(-c2ccc(F)c(Br)c2)no1)C1CC1.
What is the InChIKey of [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
The InChIKey is ZGARDICBDYEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c13-8-5-7(3-4-9(8)14)11-16-12(18-17-11)10(15)6-1-2-6/h3-6,10H,1-2,15H2.
What are the key properties of [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine has a molecular weight of 312.14 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine is sourced from PubChem (CID 82809079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).