5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C18H13N3O3 — CID 913800

IUPAC5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C18H13N3O3/c1-22-17-13(9-10-14(19-17)12-6-3-2-4-7-12)16-20-18(24-21-16)15-8-5-11-23-15/h2-11H,1H3
InChIKeyGGPZBQOZPGJFQA-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.07
Rot. Bonds4

About 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 913800) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID913800
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C18H13N3O3/c1-22-17-13(9-10-14(19-17)12-6-3-2-4-7-12)16-20-18(24-21-16)15-8-5-11-23-15/h2-11H,1H3
InChIKeyGGPZBQOZPGJFQA-UHFFFAOYSA-N
XLogP4.07
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 913777
CID 913777
CID 699740
CID 699740
CID 645766
CID 645766
CID 649431
CID 649431
CID 656230
CID 656230
CID 852899
CID 852899
CID 852903
CID 852903
CID 699742
CID 699742
CID 577823
CID 577823
CID 652883
CID 652883
CID 829955
CID 829955
CID 935408
CID 935408

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 913800) is 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GGPZBQOZPGJFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-22-17-13(9-10-14(19-17)12-6-3-2-4-7-12)16-20-18(24-21-16)15-8-5-11-23-15/h2-11H,1H3.
What are the key properties of 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 319.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 913800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).