2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C17H11ClN4O2 — CID 53153500

IUPAC2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C17H11ClN4O2/c18-13-8-6-11(7-9-13)16-19-14(24-22-16)10-15-20-21-17(23-15)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVIJIDBGTHHCOJU-UHFFFAOYSA-N
MW338.75 g/mol
LogP4.03
Rot. Bonds4

About 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 53153500) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID53153500
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C17H11ClN4O2/c18-13-8-6-11(7-9-13)16-19-14(24-22-16)10-15-20-21-17(23-15)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVIJIDBGTHHCOJU-UHFFFAOYSA-N
XLogP4.03
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 53153500) is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole is Clc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is VIJIDBGTHHCOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c18-13-8-6-11(7-9-13)16-19-14(24-22-16)10-15-20-21-17(23-15)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 338.75 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 53153500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).