5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide

C16H11Cl2N3O3 — CID 44571281

IUPAC5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C16H11Cl2N3O3/c17-11-3-1-2-9(6-11)8-23-13-5-4-10(7-12(13)18)15-20-21-16(24-15)14(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyVIUJGVHTZASMHN-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.72
Rot. Bonds5

About 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide

5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 44571281) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID44571281
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C16H11Cl2N3O3/c17-11-3-1-2-9(6-11)8-23-13-5-4-10(7-12(13)18)15-20-21-16(24-15)14(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyVIUJGVHTZASMHN-UHFFFAOYSA-N
XLogP3.72
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 44571281) is 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1.
What is the InChIKey of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is VIUJGVHTZASMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c17-11-3-1-2-9(6-11)8-23-13-5-4-10(7-12(13)18)15-20-21-16(24-15)14(19)22/h1-7H,8H2,(H2,19,22).
What are the key properties of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide?
5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 44571281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).