1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride

C17H20ClN3O — CID 120863917

IUPAC1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CC34CCc3ccccc34)n2)CCC1
InChIInChI=1S/C17H19N3O.ClH/c18-17(7-3-8-17)15-19-14(21-20-15)13-10-16(13)9-6-11-4-1-2-5-12(11)16;/h1-2,4-5,13H,3,6-10,18H2;1H
InChIKeyFPYWLKJPSRAHLV-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.20
Rot. Bonds2

About 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride

1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride (PubChem CID 120863917) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride
PubChem CID120863917
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CC34CCc3ccccc34)n2)CCC1
InChIInChI=1S/C17H19N3O.ClH/c18-17(7-3-8-17)15-19-14(21-20-15)13-10-16(13)9-6-11-4-1-2-5-12(11)16;/h1-2,4-5,13H,3,6-10,18H2;1H
InChIKeyFPYWLKJPSRAHLV-UHFFFAOYSA-N
XLogP3.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862589
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354306
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351721
1-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861103
spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrochloride
CID 71756685
1-[5-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864711
1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 79212801
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864592
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862454
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 120859046

Frequently Asked Questions

What is the IUPAC name of 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride (CID 120863917) is 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(C3CC34CCc3ccccc34)n2)CCC1.
What is the InChIKey of 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride?
The InChIKey is FPYWLKJPSRAHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c18-17(7-3-8-17)15-19-14(21-20-15)13-10-16(13)9-6-11-4-1-2-5-12(11)16;/h1-2,4-5,13H,3,6-10,18H2;1H.
What are the key properties of 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride?
1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).