4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide

C24H19N3O4 — CID 3404474

IUPAC4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C24H19N3O4/c28-22(18-8-6-17(7-9-18)14-16-4-2-1-3-5-16)25-24-27-26-23(31-24)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,15H,12-14H2,(H,25,27,28)
InChIKeyGGVBKTNJGODJLB-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.35
Rot. Bonds5

About 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3404474) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3404474
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C24H19N3O4/c28-22(18-8-6-17(7-9-18)14-16-4-2-1-3-5-16)25-24-27-26-23(31-24)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,15H,12-14H2,(H,25,27,28)
InChIKeyGGVBKTNJGODJLB-UHFFFAOYSA-N
XLogP4.35
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide with MolForge

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 4443990
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
CID 3303968
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]butanamide
CID 5058055
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
CID 28938024
3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 691744
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 2104218
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3451233
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4791317
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5240164
N-(5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 7244013
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7244062

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3404474) is 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GGVBKTNJGODJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-22(18-8-6-17(7-9-18)14-16-4-2-1-3-5-16)25-24-27-26-23(31-24)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,15H,12-14H2,(H,25,27,28).
What are the key properties of 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 413.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3404474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).