N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

C21H20N2O6 — CID 2476997

IUPACN-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H20N2O6/c1-12-16(13(2)29-23-12)10-26-17-6-4-14(8-19(17)25-3)21(24)22-15-5-7-18-20(9-15)28-11-27-18/h4-9H,10-11H2,1-3H3,(H,22,24)
InChIKeyJNZBSSJTOIJVLA-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.86
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (PubChem CID 2476997) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
PubChem CID2476997
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H20N2O6/c1-12-16(13(2)29-23-12)10-26-17-6-4-14(8-19(17)25-3)21(24)22-15-5-7-18-20(9-15)28-11-27-18/h4-9H,10-11H2,1-3H3,(H,22,24)
InChIKeyJNZBSSJTOIJVLA-UHFFFAOYSA-N
XLogP3.86
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide with MolForge

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Related Compounds

N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
[1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4032784
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790440
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
N-(benzo[d][1,3]dioxol-5-yl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 9437284
[1-(1,3-Benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16305627
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 690908
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2598908

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (CID 2476997) is N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The InChIKey is JNZBSSJTOIJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-12-16(13(2)29-23-12)10-26-17-6-4-14(8-19(17)25-3)21(24)22-15-5-7-18-20(9-15)28-11-27-18/h4-9H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide has a molecular weight of 396.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 2476997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).