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

C12H19N3O — CID 120851211

IUPAC1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC/C=C(/C)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C12H19N3O/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/b9-6-
InChIKeyAJMXJUIZLMLNOJ-TWGQIWQCSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds3

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

1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851211) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851211
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC/C=C(/C)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C12H19N3O/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/b9-6-
InChIKeyAJMXJUIZLMLNOJ-TWGQIWQCSA-N
XLogP2.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
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?
The IUPAC name of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851211) is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CC/C=C(/C)c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is AJMXJUIZLMLNOJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H19N3O/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/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?
1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.61, 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 is sourced from PubChem (CID 120851211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).