5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole

C18H17N5O2 — CID 154747137

IUPAC5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCOc1ncc(C=Cc2nc(C3(c4ccncc4)CCC3)no2)cn1
InChIInChI=1S/C18H17N5O2/c1-24-17-20-11-13(12-21-17)3-4-15-22-16(23-25-15)18(7-2-8-18)14-5-9-19-10-6-14/h3-6,9-12H,2,7-8H2,1H3
InChIKeyZXJMYAMQEBIXDK-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.90
Rot. Bonds5

About 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole

5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 154747137) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
PubChem CID154747137
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCOc1ncc(C=Cc2nc(C3(c4ccncc4)CCC3)no2)cn1
InChIInChI=1S/C18H17N5O2/c1-24-17-20-11-13(12-21-17)3-4-15-22-16(23-25-15)18(7-2-8-18)14-5-9-19-10-6-14/h3-6,9-12H,2,7-8H2,1H3
InChIKeyZXJMYAMQEBIXDK-UHFFFAOYSA-N
XLogP2.90
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (CID 154747137) is 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is COc1ncc(C=Cc2nc(C3(c4ccncc4)CCC3)no2)cn1.
What is the InChIKey of 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is ZXJMYAMQEBIXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-24-17-20-11-13(12-21-17)3-4-15-22-16(23-25-15)18(7-2-8-18)14-5-9-19-10-6-14/h3-6,9-12H,2,7-8H2,1H3.
What are the key properties of 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 335.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154747137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).