3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine

C11H11BrClN3O — CID 115568404

IUPAC3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H11BrClN3O/c1-2-5-14-11-15-10(16-17-11)7-3-4-9(13)8(12)6-7/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyQZTWIPFVSOPHTK-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.97
Rot. Bonds4

About 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine

3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 115568404) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID115568404
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H11BrClN3O/c1-2-5-14-11-15-10(16-17-11)7-3-4-9(13)8(12)6-7/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyQZTWIPFVSOPHTK-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 113337349
N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 115565619
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115565472
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115565639
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 115568616
3-(4-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594488
2-(3-bromo-4-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115568197
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115565498
2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193253
3-(3-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55095768
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine (CID 115568404) is 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is QZTWIPFVSOPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-2-5-14-11-15-10(16-17-11)7-3-4-9(13)8(12)6-7/h3-4,6H,2,5H2,1H3,(H,14,15,16).
What are the key properties of 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine?
3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 316.59 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115568404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).