1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C15H24ClN5O — CID 120851688

IUPAC1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC(C)c1nccn1CCc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H23N5O.ClH/c1-11(2)13-17-8-10-20(13)9-5-12-18-14(19-21-12)15(16)6-3-4-7-15;/h8,10-11H,3-7,9,16H2,1-2H3;1H
InChIKeyMTMUGGXLFSEIJN-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.78
Rot. Bonds5

About 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851688) has the molecular formula C15H24ClN5O and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851688
Molecular FormulaC15H24ClN5O
Molecular Weight325.84 g/mol
Exact Mass325.17
IUPAC Name1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC(C)c1nccn1CCc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H23N5O.ClH/c1-11(2)13-17-8-10-20(13)9-5-12-18-14(19-21-12)15(16)6-3-4-7-15;/h8,10-11H,3-7,9,16H2,1-2H3;1H
InChIKeyMTMUGGXLFSEIJN-UHFFFAOYSA-N
XLogP2.78
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-(4-propan-2-ylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855150
1-[5-[2-(benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852984
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
CID 120852283
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride
CID 120860401
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125013810
1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077749
1-[5-[(1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857193

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851688) is 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CC(C)c1nccn1CCc1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is MTMUGGXLFSEIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.ClH/c1-11(2)13-17-8-10-20(13)9-5-12-18-14(19-21-12)15(16)6-3-4-7-15;/h8,10-11H,3-7,9,16H2,1-2H3;1H.
What are the key properties of 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120851688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).