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

C19H15N3O3 — CID 646957

IUPAC5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C19H15N3O3/c1-12-5-7-13(8-6-12)15-10-9-14(18(20-15)23-2)17-21-19(25-22-17)16-4-3-11-24-16/h3-11H,1-2H3
InChIKeyPWKQDVVKYZCFLE-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.38
Rot. Bonds4

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

5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 646957) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID646957
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C19H15N3O3/c1-12-5-7-13(8-6-12)15-10-9-14(18(20-15)23-2)17-21-19(25-22-17)16-4-3-11-24-16/h3-11H,1-2H3
InChIKeyPWKQDVVKYZCFLE-UHFFFAOYSA-N
XLogP4.38
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 646957) is 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole is COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is PWKQDVVKYZCFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-5-7-13(8-6-12)15-10-9-14(18(20-15)23-2)17-21-19(25-22-17)16-4-3-11-24-16/h3-11H,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-(furan-2-yl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 4.38, 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-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 646957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).