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

C12H11BrClN3O — CID 107992711

IUPAC[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
SMILESNC(c1noc(-c2ccc(Cl)c(Br)c2)n1)C1CC1
InChIInChI=1S/C12H11BrClN3O/c13-8-5-7(3-4-9(8)14)12-16-11(17-18-12)10(15)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyWPJUGSPLLNYQMA-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.56
Rot. Bonds3

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

[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine (PubChem CID 107992711) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
PubChem CID107992711
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
SMILESNC(c1noc(-c2ccc(Cl)c(Br)c2)n1)C1CC1
InChIInChI=1S/C12H11BrClN3O/c13-8-5-7(3-4-9(8)14)12-16-11(17-18-12)10(15)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyWPJUGSPLLNYQMA-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325038
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107992820
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324851
[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325661
[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325046
[5-(2-bromo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 81117399
cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 104672139
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28541006
cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 103121818
cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61325253
1-[5-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634547

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine (CID 107992711) is [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine is NC(c1noc(-c2ccc(Cl)c(Br)c2)n1)C1CC1.
What is the InChIKey of [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The InChIKey is WPJUGSPLLNYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c13-8-5-7(3-4-9(8)14)12-16-11(17-18-12)10(15)6-1-2-6/h3-6,10H,1-2,15H2.
What are the key properties of [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine has a molecular weight of 328.60 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine is sourced from PubChem (CID 107992711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).