1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C15H18BrCl2N3O — CID 120857482

IUPAC1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3cc(Cl)ccc3Br)n2)CCCC1
InChIInChI=1S/C15H17BrClN3O.ClH/c16-12-5-4-11(17)9-10(12)3-6-13-19-14(20-21-13)15(18)7-1-2-8-15;/h4-5,9H,1-3,6-8,18H2;1H
InChIKeyZWQRTBAAUYEVHK-UHFFFAOYSA-N
MW407.14 g/mol
LogP4.42
Rot. Bonds4

About 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120857482) has the molecular formula C15H18BrCl2N3O and a molecular weight of 407.14 g/mol. Its IUPAC name is 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120857482
Molecular FormulaC15H18BrCl2N3O
Molecular Weight407.14 g/mol
Exact Mass405.00
IUPAC Name1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3cc(Cl)ccc3Br)n2)CCCC1
InChIInChI=1S/C15H17BrClN3O.ClH/c16-12-5-4-11(17)9-10(12)3-6-13-19-14(20-21-13)15(18)7-1-2-8-15;/h4-5,9H,1-3,6-8,18H2;1H
InChIKeyZWQRTBAAUYEVHK-UHFFFAOYSA-N
XLogP4.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856616
1-[5-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863346
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-[2-(4-chlorothiophen-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852675
1-[5-[(5-chloro-2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862598
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
1-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859819
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-6-chloro-4H-1,4-benzothiazin-3-one;hydrochloride
CID 120850280
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
1-[5-[2-(4-propan-2-ylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855150
1-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862931
1-[5-[2-(3-chloro-4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851225

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120857482) is 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(CCc3cc(Cl)ccc3Br)n2)CCCC1.
What is the InChIKey of 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is ZWQRTBAAUYEVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O.ClH/c16-12-5-4-11(17)9-10(12)3-6-13-19-14(20-21-13)15(18)7-1-2-8-15;/h4-5,9H,1-3,6-8,18H2;1H.
What are the key properties of 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 407.14 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120857482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).