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

C18H12ClN3O3 — CID 649431

IUPAC3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C18H12ClN3O3/c1-23-17-13(16-21-18(25-22-16)15-3-2-10-24-15)8-9-14(20-17)11-4-6-12(19)7-5-11/h2-10H,1H3
InChIKeyRRZSHVNNRIXKIU-UHFFFAOYSA-N
MW353.77 g/mol
LogP4.72
Rot. Bonds4

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

3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 649431) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID649431
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C18H12ClN3O3/c1-23-17-13(16-21-18(25-22-16)15-3-2-10-24-15)8-9-14(20-17)11-4-6-12(19)7-5-11/h2-10H,1H3
InChIKeyRRZSHVNNRIXKIU-UHFFFAOYSA-N
XLogP4.72
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole (CID 649431) is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole is COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccco2)n1.
What is the InChIKey of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is RRZSHVNNRIXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c1-23-17-13(16-21-18(25-22-16)15-3-2-10-24-15)8-9-14(20-17)11-4-6-12(19)7-5-11/h2-10H,1H3.
What are the key properties of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 353.77 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 649431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).