2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole

C23H16ClN5O2 — CID 67124775

IUPAC2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESClc1ccc(C=C(c2ccc(OCc3ccn4nccc4n3)cc2)c2nnco2)cc1
InChIInChI=1S/C23H16ClN5O2/c24-18-5-1-16(2-6-18)13-21(23-28-25-15-31-23)17-3-7-20(8-4-17)30-14-19-10-12-29-22(27-19)9-11-26-29/h1-13,15H,14H2
InChIKeyHSNQVHYQNUHMRL-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.93
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole

2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole (PubChem CID 67124775) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole
PubChem CID67124775
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESClc1ccc(C=C(c2ccc(OCc3ccn4nccc4n3)cc2)c2nnco2)cc1
InChIInChI=1S/C23H16ClN5O2/c24-18-5-1-16(2-6-18)13-21(23-28-25-15-31-23)17-3-7-20(8-4-17)30-14-19-10-12-29-22(27-19)9-11-26-29/h1-13,15H,14H2
InChIKeyHSNQVHYQNUHMRL-UHFFFAOYSA-N
XLogP4.93
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole (CID 67124775) is 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole is Clc1ccc(C=C(c2ccc(OCc3ccn4nccc4n3)cc2)c2nnco2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is HSNQVHYQNUHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c24-18-5-1-16(2-6-18)13-21(23-28-25-15-31-23)17-3-7-20(8-4-17)30-14-19-10-12-29-22(27-19)9-11-26-29/h1-13,15H,14H2.
What are the key properties of 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole?
2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 429.87 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 67124775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).