1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C13H19ClN4O2 — CID 120861529

IUPAC1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCC(C)c1cc(-c2nc(C3(N)CCC3)no2)on1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-3-8(2)9-7-10(18-16-9)11-15-12(17-19-11)13(14)5-4-6-13;/h7-8H,3-6,14H2,1-2H3;1H
InChIKeyJZXRXQCLADLWIM-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.00
Rot. Bonds4

About 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120861529) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120861529
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCC(C)c1cc(-c2nc(C3(N)CCC3)no2)on1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-3-8(2)9-7-10(18-16-9)11-15-12(17-19-11)13(14)5-4-6-13;/h7-8H,3-6,14H2,1-2H3;1H
InChIKeyJZXRXQCLADLWIM-UHFFFAOYSA-N
XLogP3.00
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
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
1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858819
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 80538961
1-[5-(1-methyl-5-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850853
1-[5-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863760
5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960773
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864420
1-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859350
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120861529) is 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CCC(C)c1cc(-c2nc(C3(N)CCC3)no2)on1.Cl.
What is the InChIKey of 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is JZXRXQCLADLWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-3-8(2)9-7-10(18-16-9)11-15-12(17-19-11)13(14)5-4-6-13;/h7-8H,3-6,14H2,1-2H3;1H.
What are the key properties of 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120861529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).