5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole

C19H15N3O4 — CID 913777

IUPAC5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccco4)n3)c(OC)n2)cc1
InChIInChI=1S/C19H15N3O4/c1-23-13-7-5-12(6-8-13)15-10-9-14(18(20-15)24-2)17-21-19(26-22-17)16-4-3-11-25-16/h3-11H,1-2H3
InChIKeyCGRRGMGMIIYDOH-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.08
Rot. Bonds5

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

5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 913777) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID913777
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccco4)n3)c(OC)n2)cc1
InChIInChI=1S/C19H15N3O4/c1-23-13-7-5-12(6-8-13)15-10-9-14(18(20-15)24-2)17-21-19(26-22-17)16-4-3-11-25-16/h3-11H,1-2H3
InChIKeyCGRRGMGMIIYDOH-UHFFFAOYSA-N
XLogP4.08
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 913777) is 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(-c4ccco4)n3)c(OC)n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is CGRRGMGMIIYDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-23-13-7-5-12(6-8-13)15-10-9-14(18(20-15)24-2)17-21-19(26-22-17)16-4-3-11-25-16/h3-11H,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 349.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 913777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).