1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C15H15BrClN5O — CID 120859003

IUPAC1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3[nH]nc(-c4ccccc4)c3Br)n2)CCC1
InChIInChI=1S/C15H14BrN5O.ClH/c16-10-11(9-5-2-1-3-6-9)19-20-12(10)13-18-14(21-22-13)15(17)7-4-8-15;/h1-3,5-6H,4,7-8,17H2,(H,19,20);1H
InChIKeyPIEYYJFMBPLNNV-UHFFFAOYSA-N
MW396.68 g/mol
LogP3.65
Rot. Bonds3

About 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120859003) has the molecular formula C15H15BrClN5O and a molecular weight of 396.68 g/mol. Its IUPAC name is 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120859003
Molecular FormulaC15H15BrClN5O
Molecular Weight396.68 g/mol
Exact Mass395.01
IUPAC Name1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3[nH]nc(-c4ccccc4)c3Br)n2)CCC1
InChIInChI=1S/C15H14BrN5O.ClH/c16-10-11(9-5-2-1-3-6-9)19-20-12(10)13-18-14(21-22-13)15(17)7-4-8-15;/h1-3,5-6H,4,7-8,17H2,(H,19,20);1H
InChIKeyPIEYYJFMBPLNNV-UHFFFAOYSA-N
XLogP3.65
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 137031670
1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851440
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862646
1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850455
1-[5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862087
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860494
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 166216352
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(5-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860423
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120859003) is 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3[nH]nc(-c4ccccc4)c3Br)n2)CCC1.
What is the InChIKey of 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is PIEYYJFMBPLNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O.ClH/c16-10-11(9-5-2-1-3-6-9)19-20-12(10)13-18-14(21-22-13)15(17)7-4-8-15;/h1-3,5-6H,4,7-8,17H2,(H,19,20);1H.
What are the key properties of 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 396.68 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120859003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).