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

C12H20ClN3O — CID 120851210

IUPAC1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC/C=C(/C)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-3-6-9(2)10-14-11(15-16-10)12(13)7-4-5-8-12;/h6H,3-5,7-8,13H2,1-2H3;1H/b9-6-;
InChIKeyYIVGCNMAMVIWPF-BORNJIKYSA-N
MW257.76 g/mol
LogP3.03
Rot. Bonds3

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

1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851210) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851210
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC/C=C(/C)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-3-6-9(2)10-14-11(15-16-10)12(13)7-4-5-8-12;/h6H,3-5,7-8,13H2,1-2H3;1H/b9-6-;
InChIKeyYIVGCNMAMVIWPF-BORNJIKYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.03
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]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851210) is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CC/C=C(/C)c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is YIVGCNMAMVIWPF-BORNJIKYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-3-6-9(2)10-14-11(15-16-10)12(13)7-4-5-8-12;/h6H,3-5,7-8,13H2,1-2H3;1H/b9-6-;.
What are the key properties of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 3.03, 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]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120851210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).