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

C19H26ClN3O2 — CID 120864617

IUPAC1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3cccc(OC4CCCC4)c3)n2)CCC1
InChIInChI=1S/C19H25N3O2.ClH/c20-19(11-4-12-19)18-21-17(24-22-18)10-9-14-5-3-8-16(13-14)23-15-6-1-2-7-15;/h3,5,8,13,15H,1-2,4,6-7,9-12,20H2;1H
InChIKeyLYLALGXJZXPCAU-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.94
Rot. Bonds6

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

1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120864617) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120864617
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3cccc(OC4CCCC4)c3)n2)CCC1
InChIInChI=1S/C19H25N3O2.ClH/c20-19(11-4-12-19)18-21-17(24-22-18)10-9-14-5-3-8-16(13-14)23-15-6-1-2-7-15;/h3,5,8,13,15H,1-2,4,6-7,9-12,20H2;1H
InChIKeyLYLALGXJZXPCAU-UHFFFAOYSA-N
XLogP3.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857317
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859760
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858568
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353308
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-(4-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863830
1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862308
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120864617) is 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(CCc3cccc(OC4CCCC4)c3)n2)CCC1.
What is the InChIKey of 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is LYLALGXJZXPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c20-19(11-4-12-19)18-21-17(24-22-18)10-9-14-5-3-8-16(13-14)23-15-6-1-2-7-15;/h3,5,8,13,15H,1-2,4,6-7,9-12,20H2;1H.
What are the key properties of 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120864617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).