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

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Related Compounds

5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154744719
3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 154742790
5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154746852
5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154742824
3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 55243061
3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
CID 167982034
1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862907
2-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetamide
CID 120860938
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862498
5-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 138005536

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).