4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide

C20H18N2O6 — CID 56739396

IUPAC4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide
SMILESCOc1cc(-c2nc(COc3ccc(C(N)=O)cc3)c(C)o2)cc2c1OCO2
InChIInChI=1S/C20H18N2O6/c1-11-15(9-25-14-5-3-12(4-6-14)19(21)23)22-20(28-11)13-7-16(24-2)18-17(8-13)26-10-27-18/h3-8H,9-10H2,1-2H3,(H2,21,23)
InChIKeyMNEQYOITRKVUPS-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.07
Rot. Bonds6

About 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide

4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide (PubChem CID 56739396) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide
PubChem CID56739396
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide
SMILESCOc1cc(-c2nc(COc3ccc(C(N)=O)cc3)c(C)o2)cc2c1OCO2
InChIInChI=1S/C20H18N2O6/c1-11-15(9-25-14-5-3-12(4-6-14)19(21)23)22-20(28-11)13-7-16(24-2)18-17(8-13)26-10-27-18/h3-8H,9-10H2,1-2H3,(H2,21,23)
InChIKeyMNEQYOITRKVUPS-UHFFFAOYSA-N
XLogP3.07
TPSA106.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide?
The IUPAC name of 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide (CID 56739396) is 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide?
The canonical SMILES for 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide is COc1cc(-c2nc(COc3ccc(C(N)=O)cc3)c(C)o2)cc2c1OCO2.
What is the InChIKey of 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide?
The InChIKey is MNEQYOITRKVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-11-15(9-25-14-5-3-12(4-6-14)19(21)23)22-20(28-11)13-7-16(24-2)18-17(8-13)26-10-27-18/h3-8H,9-10H2,1-2H3,(H2,21,23).
What are the key properties of 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide?
4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide has a molecular weight of 382.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzamide is sourced from PubChem (CID 56739396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).