N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide

C20H18N2O6 — CID 58712162

IUPACN-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2conc2-c2cc(OC)c3c(c2)OCO3)cc1NC(C)=O
InChIInChI=1S/C20H18N2O6/c1-11(23)21-15-6-12(4-5-16(15)24-2)14-9-28-22-19(14)13-7-17(25-3)20-18(8-13)26-10-27-20/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyZAPMLUGIRFZXBA-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.71
Rot. Bonds5

About N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide

N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide (PubChem CID 58712162) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
PubChem CID58712162
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2conc2-c2cc(OC)c3c(c2)OCO3)cc1NC(C)=O
InChIInChI=1S/C20H18N2O6/c1-11(23)21-15-6-12(4-5-16(15)24-2)14-9-28-22-19(14)13-7-17(25-3)20-18(8-13)26-10-27-20/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyZAPMLUGIRFZXBA-UHFFFAOYSA-N
XLogP3.71
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-5-[3-(4-methoxy-1,3,2-benzodioxazol-6-yl)-1,2-oxazol-4-yl]phenyl]acetamide
CID 141302186
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate
CID 58712055
disodium;[5-methoxy-2-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl] phosphate
CID 161397723
4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 58177942
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol
CID 172676318
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-2-phenylacetamide
CID 58712186
2-amino-N-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]propanamide;hydrochloride
CID 123477282
1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-(2-methylbutyl)urea;hydrochloride
CID 173126193
[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium
CID 58178347
[5-(diaminomethylideneamino)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopentan-2-yl]azanium chloride
CID 87207885
6-amino-2-(chloroamino)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]hexanamide
CID 149058195

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide (CID 58712162) is N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide is COc1ccc(-c2conc2-c2cc(OC)c3c(c2)OCO3)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
The InChIKey is ZAPMLUGIRFZXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-11(23)21-15-6-12(4-5-16(15)24-2)14-9-28-22-19(14)13-7-17(25-3)20-18(8-13)26-10-27-20/h4-9H,10H2,1-3H3,(H,21,23).
What are the key properties of N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide?
N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide has a molecular weight of 382.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 58712162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).