N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H9Cl2N3O4 — CID 7244039

IUPACN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)C1=COCCO1
InChIInChI=1S/C13H9Cl2N3O4/c14-7-1-2-9(15)8(5-7)12-17-18-13(22-12)16-11(19)10-6-20-3-4-21-10/h1-2,5-6H,3-4H2,(H,16,18,19)
InChIKeyFWASXSCMUTVFCL-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.87
Rot. Bonds3

About N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 7244039) has the molecular formula C13H9Cl2N3O4 and a molecular weight of 342.14 g/mol. Its IUPAC name is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID7244039
Molecular FormulaC13H9Cl2N3O4
Molecular Weight342.14 g/mol
Exact Mass341.00
IUPAC NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)C1=COCCO1
InChIInChI=1S/C13H9Cl2N3O4/c14-7-1-2-9(15)8(5-7)12-17-18-13(22-12)16-11(19)10-6-20-3-4-21-10/h1-2,5-6H,3-4H2,(H,16,18,19)
InChIKeyFWASXSCMUTVFCL-UHFFFAOYSA-N
XLogP2.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 24686589
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718248
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 3629579
N-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 4190701
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 8608452
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorobenzamide
CID 8608473
3-chloro-N-(5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4165290
N-(5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 4207925
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 16821708
3,5-dichloro-N-(5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3329824
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608388
2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821724

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 7244039) is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)C1=COCCO1.
What is the InChIKey of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is FWASXSCMUTVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O4/c14-7-1-2-9(15)8(5-7)12-17-18-13(22-12)16-11(19)10-6-20-3-4-21-10/h1-2,5-6H,3-4H2,(H,16,18,19).
What are the key properties of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 342.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 7244039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).