5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole

C15H17N3O — CID 154744719

IUPAC5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCC=C(C)c1nc(C2(c3ccncc3)CCC2)no1
InChIInChI=1S/C15H17N3O/c1-3-11(2)13-17-14(18-19-13)15(7-4-8-15)12-5-9-16-10-6-12/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyYMFXRNHINPIMMA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.36
Rot. Bonds3

About 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole

5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 154744719) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
PubChem CID154744719
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCC=C(C)c1nc(C2(c3ccncc3)CCC2)no1
InChIInChI=1S/C15H17N3O/c1-3-11(2)13-17-14(18-19-13)15(7-4-8-15)12-5-9-16-10-6-12/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyYMFXRNHINPIMMA-UHFFFAOYSA-N
XLogP3.36
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (CID 154744719) is 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is CC=C(C)c1nc(C2(c3ccncc3)CCC2)no1.
What is the InChIKey of 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is YMFXRNHINPIMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-11(2)13-17-14(18-19-13)15(7-4-8-15)12-5-9-16-10-6-12/h3,5-6,9-10H,4,7-8H2,1-2H3.
What are the key properties of 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 255.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154744719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).