1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C17H23ClN4O — CID 120862317

IUPAC1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1ccc(N2CCCC2)c(-c2nc(C3(N)CCC3)no2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-5-6-14(21-9-2-3-10-21)13(11-12)15-19-16(20-22-15)17(18)7-4-8-17;/h5-6,11H,2-4,7-10,18H2,1H3;1H
InChIKeyDOQMCLXOFGNEPH-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.40
Rot. Bonds3

About 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120862317) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120862317
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1ccc(N2CCCC2)c(-c2nc(C3(N)CCC3)no2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-5-6-14(21-9-2-3-10-21)13(11-12)15-19-16(20-22-15)17(18)7-4-8-17;/h5-6,11H,2-4,7-10,18H2,1H3;1H
InChIKeyDOQMCLXOFGNEPH-UHFFFAOYSA-N
XLogP3.40
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-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-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850
1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864388
1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860179
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2,5-dimethylphenyl)methanone;hydrochloride
CID 120858811
1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 106863473
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859837
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 120864049
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120862317) is 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1ccc(N2CCCC2)c(-c2nc(C3(N)CCC3)no2)c1.Cl.
What is the InChIKey of 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is DOQMCLXOFGNEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-5-6-14(21-9-2-3-10-21)13(11-12)15-19-16(20-22-15)17(18)7-4-8-17;/h5-6,11H,2-4,7-10,18H2,1H3;1H.
What are the key properties of 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120862317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).