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

C12H20ClN3O — CID 120860019

IUPAC1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCCC1(c2nc(C3(N)CCC3)no2)CC1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-2-4-11(7-8-11)10-14-9(15-16-10)12(13)5-3-6-12;/h2-8,13H2,1H3;1H
InChIKeyVFTVPLZSAMWGPJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.66
Rot. Bonds4

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

1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860019) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860019
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCCC1(c2nc(C3(N)CCC3)no2)CC1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-2-4-11(7-8-11)10-14-9(15-16-10)12(13)5-3-6-12;/h2-8,13H2,1H3;1H
InChIKeyVFTVPLZSAMWGPJ-UHFFFAOYSA-N
XLogP2.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[1-(2-methylpropyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855618
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 106828747
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337
1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 116742976
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861659
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862454

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860019) is 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CCCC1(c2nc(C3(N)CCC3)no2)CC1.Cl.
What is the InChIKey of 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is VFTVPLZSAMWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-2-4-11(7-8-11)10-14-9(15-16-10)12(13)5-3-6-12;/h2-8,13H2,1H3;1H.
What are the key properties of 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).