5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole

C12H19N3O — CID 23057490

IUPAC5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1C=C(c2nc(C(C)C)no2)CNC1
InChIInChI=1S/C12H19N3O/c1-4-9-5-10(7-13-6-9)12-14-11(8(2)3)15-16-12/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyKNFNDNNZDDWFFD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds3

About 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 23057490) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID23057490
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1C=C(c2nc(C(C)C)no2)CNC1
InChIInChI=1S/C12H19N3O/c1-4-9-5-10(7-13-6-9)12-14-11(8(2)3)15-16-12/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyKNFNDNNZDDWFFD-UHFFFAOYSA-N
XLogP2.21
TPSA50.95 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 23057490) is 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is CCC1C=C(c2nc(C(C)C)no2)CNC1.
What is the InChIKey of 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is KNFNDNNZDDWFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9-5-10(7-13-6-9)12-14-11(8(2)3)15-16-12/h5,8-9,13H,4,6-7H2,1-3H3.
What are the key properties of 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 23057490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).