N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

C16H11Cl2N3O3 — CID 1434998

IUPACN-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl2N3O3/c17-11-7-4-8-12(14(11)18)19-13(22)9-21-15(20-24-16(21)23)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)
InChIKeyYJKKFXFKGMGRCS-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.45
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 1434998) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID1434998
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC NameN-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl2N3O3/c17-11-7-4-8-12(14(11)18)19-13(22)9-21-15(20-24-16(21)23)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)
InChIKeyYJKKFXFKGMGRCS-UHFFFAOYSA-N
XLogP3.45
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (CID 1434998) is N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is O=C(Cn1c(-c2ccccc2)noc1=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is YJKKFXFKGMGRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c17-11-7-4-8-12(14(11)18)19-13(22)9-21-15(20-24-16(21)23)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 364.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 1434998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).