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

C17H21Cl2N3O2 — CID 120862203

IUPAC1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)CCC1
InChIInChI=1S/C17H20ClN3O2.ClH/c18-13-4-2-12(3-5-13)16(8-10-22-11-9-16)15-20-14(21-23-15)17(19)6-1-7-17;/h2-5H,1,6-11,19H2;1H
InChIKeyJLDFDMIFNAMBRL-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.58
Rot. Bonds3

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

1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120862203) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120862203
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)CCC1
InChIInChI=1S/C17H20ClN3O2.ClH/c18-13-4-2-12(3-5-13)16(8-10-22-11-9-16)15-20-14(21-23-15)17(19)6-1-7-17;/h2-5H,1,6-11,19H2;1H
InChIKeyJLDFDMIFNAMBRL-UHFFFAOYSA-N
XLogP3.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855460
1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862063
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-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 56712323
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862454
5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077853
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-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861080
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120862203) is 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)CCC1.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is JLDFDMIFNAMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.ClH/c18-13-4-2-12(3-5-13)16(8-10-22-11-9-16)15-20-14(21-23-15)17(19)6-1-7-17;/h2-5H,1,6-11,19H2;1H.
What are the key properties of 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120862203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).