4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride

C20H24ClN5O — CID 120853767

IUPAC4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc(-c2cncc(-c3nc(C4(N)CCCC4)no3)c2)cc1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-25(2)17-7-5-14(6-8-17)15-11-16(13-22-12-15)18-23-19(24-26-18)20(21)9-3-4-10-20;/h5-8,11-13H,3-4,9-10,21H2,1-2H3;1H
InChIKeyWVEIQGXKUAOZEV-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.01
Rot. Bonds4

About 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride

4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride (PubChem CID 120853767) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride
PubChem CID120853767
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc(-c2cncc(-c3nc(C4(N)CCCC4)no3)c2)cc1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-25(2)17-7-5-14(6-8-17)15-11-16(13-22-12-15)18-23-19(24-26-18)20(21)9-3-4-10-20;/h5-8,11-13H,3-4,9-10,21H2,1-2H3;1H
InChIKeyWVEIQGXKUAOZEV-UHFFFAOYSA-N
XLogP4.01
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride with MolForge

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Related Compounds

1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104786423
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120850900
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120859234
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylpropyl)aniline;hydrochloride
CID 120857240
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride?
The IUPAC name of 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride (CID 120853767) is 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride?
The canonical SMILES for 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride is CN(C)c1ccc(-c2cncc(-c3nc(C4(N)CCCC4)no3)c2)cc1.Cl.
What is the InChIKey of 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride?
The InChIKey is WVEIQGXKUAOZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-25(2)17-7-5-14(6-8-17)15-11-16(13-22-12-15)18-23-19(24-26-18)20(21)9-3-4-10-20;/h5-8,11-13H,3-4,9-10,21H2,1-2H3;1H.
What are the key properties of 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride?
4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride is sourced from PubChem (CID 120853767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).