5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C17H15ClN2O4 — CID 666646

IUPAC5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccc(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C17H15ClN2O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)16-19-17(24-20-16)10-5-4-6-12(18)7-10/h4-9H,1-3H3
InChIKeyWMGRKSRXYJFIGU-UHFFFAOYSA-N
MW346.77 g/mol
LogP4.08
Rot. Bonds5

About 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 666646) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID666646
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccc(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C17H15ClN2O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)16-19-17(24-20-16)10-5-4-6-12(18)7-10/h4-9H,1-3H3
InChIKeyWMGRKSRXYJFIGU-UHFFFAOYSA-N
XLogP4.08
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 666646) is 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cccc(Cl)c3)n2)cc(OC)c1OC.
What is the InChIKey of 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WMGRKSRXYJFIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)16-19-17(24-20-16)10-5-4-6-12(18)7-10/h4-9H,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 346.77 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 666646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).