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

C16H14ClN3O2 — CID 913870

IUPAC3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1
InChIInChI=1S/C16H14ClN3O2/c1-3-14-19-15(20-22-14)12-8-9-13(18-16(12)21-2)10-4-6-11(17)7-5-10/h4-9H,3H2,1-2H3
InChIKeyIGDDUZVBEMYMGJ-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.02
Rot. Bonds4

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

3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 913870) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID913870
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1
InChIInChI=1S/C16H14ClN3O2/c1-3-14-19-15(20-22-14)12-8-9-13(18-16(12)21-2)10-4-6-11(17)7-5-10/h4-9H,3H2,1-2H3
InChIKeyIGDDUZVBEMYMGJ-UHFFFAOYSA-N
XLogP4.02
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole (CID 913870) is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1.
What is the InChIKey of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is IGDDUZVBEMYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-3-14-19-15(20-22-14)12-8-9-13(18-16(12)21-2)10-4-6-11(17)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole?
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 315.76 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 913870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).