1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C16H19BrClN3O — CID 120862063

IUPAC1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3(c4ccc(Br)cc4)CCC3)n2)CCC1
InChIInChI=1S/C16H18BrN3O.ClH/c17-12-5-3-11(4-6-12)15(7-1-8-15)14-19-13(20-21-14)16(18)9-2-10-16;/h3-6H,1-2,7-10,18H2;1H
InChIKeyFOCASVMJMOIQSM-UHFFFAOYSA-N
MW384.71 g/mol
LogP4.06
Rot. Bonds3

About 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120862063) has the molecular formula C16H19BrClN3O and a molecular weight of 384.71 g/mol. Its IUPAC name is 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120862063
Molecular FormulaC16H19BrClN3O
Molecular Weight384.71 g/mol
Exact Mass383.04
IUPAC Name1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3(c4ccc(Br)cc4)CCC3)n2)CCC1
InChIInChI=1S/C16H18BrN3O.ClH/c17-12-5-3-11(4-6-12)15(7-1-8-15)14-19-13(20-21-14)16(18)9-2-10-16;/h3-6H,1-2,7-10,18H2;1H
InChIKeyFOCASVMJMOIQSM-UHFFFAOYSA-N
XLogP4.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.71
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-[1-(4-methoxyphenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853255
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851992
1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862203
1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855460
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862454
1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206
1-[5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862219
1-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-bromopyridin-2-one;hydrochloride
CID 120860417
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride
CID 120860401

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120862063) is 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(C3(c4ccc(Br)cc4)CCC3)n2)CCC1.
What is the InChIKey of 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is FOCASVMJMOIQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O.ClH/c17-12-5-3-11(4-6-12)15(7-1-8-15)14-19-13(20-21-14)16(18)9-2-10-16;/h3-6H,1-2,7-10,18H2;1H.
What are the key properties of 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 384.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120862063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).