1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C15H23ClN4O2 — CID 120853771

IUPAC1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCc1noc(CC)c1Cc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-11-10(12(4-2)20-18-11)9-13-17-14(19-21-13)15(16)7-5-6-8-15;/h3-9,16H2,1-2H3;1H
InChIKeyOZEBQBAQDBMTLE-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.92
Rot. Bonds5

About 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120853771) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120853771
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCc1noc(CC)c1Cc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-11-10(12(4-2)20-18-11)9-13-17-14(19-21-13)15(16)7-5-6-8-15;/h3-9,16H2,1-2H3;1H
InChIKeyOZEBQBAQDBMTLE-UHFFFAOYSA-N
XLogP2.92
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850191
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852375
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119344958
1-[5-[(1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857193
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120853771) is 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCc1noc(CC)c1Cc1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is OZEBQBAQDBMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.ClH/c1-3-11-10(12(4-2)20-18-11)9-13-17-14(19-21-13)15(16)7-5-6-8-15;/h3-9,16H2,1-2H3;1H.
What are the key properties of 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120853771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).