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

C11H18ClN3O — CID 120859505

IUPAC1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC/C=C(/C)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-3-5-8(2)9-13-10(14-15-9)11(12)6-4-7-11;/h5H,3-4,6-7,12H2,1-2H3;1H/b8-5-;
InChIKeyNIBPYEPGHIJRQC-HGKIGUAWSA-N
MW243.74 g/mol
LogP2.64
Rot. Bonds3

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

1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120859505) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120859505
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC/C=C(/C)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-3-5-8(2)9-13-10(14-15-9)11(12)6-4-7-11;/h5H,3-4,6-7,12H2,1-2H3;1H/b8-5-;
InChIKeyNIBPYEPGHIJRQC-HGKIGUAWSA-N
XLogP2.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120859505) is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CC/C=C(/C)c1nc(C2(N)CCC2)no1.Cl.
What is the InChIKey of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is NIBPYEPGHIJRQC-HGKIGUAWSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-3-5-8(2)9-13-10(14-15-9)11(12)6-4-7-11;/h5H,3-4,6-7,12H2,1-2H3;1H/b8-5-;.
What are the key properties of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120859505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).