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

C24H19N3O5 — CID 25237851

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C24H19N3O5/c28-24(25-17-10-11-20-21(14-17)30-13-12-29-20)18-8-4-5-9-19(18)31-15-22-26-23(27-32-22)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,28)
InChIKeyPUUKTGGDOHRSOG-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.34
Rot. Bonds6

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (PubChem CID 25237851) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
PubChem CID25237851
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C24H19N3O5/c28-24(25-17-10-11-20-21(14-17)30-13-12-29-20)18-8-4-5-9-19(18)31-15-22-26-23(27-32-22)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,28)
InChIKeyPUUKTGGDOHRSOG-UHFFFAOYSA-N
XLogP4.34
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
CID 27876772
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762518
N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238419
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
2-ethoxy-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041700
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 16501811
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267111
N-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828830

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (CID 25237851) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1OCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The InChIKey is PUUKTGGDOHRSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c28-24(25-17-10-11-20-21(14-17)30-13-12-29-20)18-8-4-5-9-19(18)31-15-22-26-23(27-32-22)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide has a molecular weight of 429.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 25237851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).