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

C11H17N3O — CID 120859506

IUPAC1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC/C=C(/C)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C11H17N3O/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/b8-5-
InChIKeyPXKVVBLZBRAKEB-YVMONPNESA-N
MW207.28 g/mol
LogP2.22
Rot. Bonds3

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

1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859506) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859506
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC/C=C(/C)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C11H17N3O/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/b8-5-
InChIKeyPXKVVBLZBRAKEB-YVMONPNESA-N
XLogP2.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.22
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?
The IUPAC name of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859506) is 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC/C=C(/C)c1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is PXKVVBLZBRAKEB-YVMONPNESA-N. The full InChI is InChI=1S/C11H17N3O/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/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?
1-[5-[(Z)-pent-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 207.28 g/mol, XLogP of 2.22, 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 is sourced from PubChem (CID 120859506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).