3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole

C19H13N3O2 — CID 118730614

IUPAC3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(Oc2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C19H13N3O2/c1-2-4-16(5-3-1)23-17-8-6-14(7-9-17)18-21-19(24-22-18)15-10-12-20-13-11-15/h1-13H
InChIKeyAVANXTSDLUPOPF-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.59
Rot. Bonds4

About 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole

3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 118730614) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID118730614
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(Oc2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C19H13N3O2/c1-2-4-16(5-3-1)23-17-8-6-14(7-9-17)18-21-19(24-22-18)15-10-12-20-13-11-15/h1-13H
InChIKeyAVANXTSDLUPOPF-UHFFFAOYSA-N
XLogP4.59
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 118730614) is 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(Oc2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1.
What is the InChIKey of 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is AVANXTSDLUPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c1-2-4-16(5-3-1)23-17-8-6-14(7-9-17)18-21-19(24-22-18)15-10-12-20-13-11-15/h1-13H.
What are the key properties of 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 315.33 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 118730614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).