3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide

C13H9Cl2N3O4 — CID 3329824

IUPAC3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C2=COCCO2)o1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N3O4/c14-8-3-7(4-9(15)5-8)11(19)16-13-18-17-12(22-13)10-6-20-1-2-21-10/h3-6H,1-2H2,(H,16,18,19)
InChIKeySAWLBBRUCCWURC-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.97
Rot. Bonds3

About 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide

3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3329824) has the molecular formula C13H9Cl2N3O4 and a molecular weight of 342.14 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3329824
Molecular FormulaC13H9Cl2N3O4
Molecular Weight342.14 g/mol
Exact Mass341.00
IUPAC Name3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C2=COCCO2)o1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N3O4/c14-8-3-7(4-9(15)5-8)11(19)16-13-18-17-12(22-13)10-6-20-1-2-21-10/h3-6H,1-2H2,(H,16,18,19)
InChIKeySAWLBBRUCCWURC-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 3638452
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7579144
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43947235
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085928
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320710
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 43976473
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16854778

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3329824) is 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(C2=COCCO2)o1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is SAWLBBRUCCWURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O4/c14-8-3-7(4-9(15)5-8)11(19)16-13-18-17-12(22-13)10-6-20-1-2-21-10/h3-6H,1-2H2,(H,16,18,19).
What are the key properties of 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 342.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3329824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).