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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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).