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

C19H14NO7- — CID 58712055

IUPAC2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate
SMILESCOc1ccc(-c2conc2-c2cc(OC)c3c(c2)OCO3)cc1C(=O)[O-]
InChIInChI=1S/C19H15NO7/c1-23-14-4-3-10(5-12(14)19(21)22)13-8-27-20-17(13)11-6-15(24-2)18-16(7-11)25-9-26-18/h3-8H,9H2,1-2H3,(H,21,22)/p-1
InChIKeyRPBYMMRIWWMRHD-UHFFFAOYSA-M
MW368.32 g/mol
LogP2.12
Rot. Bonds5

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

2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate (PubChem CID 58712055) has the molecular formula C19H14NO7- and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate.

Molecular Properties

Compound Name2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate
PubChem CID58712055
Molecular FormulaC19H14NO7-
Molecular Weight368.32 g/mol
Exact Mass368.08
IUPAC Name2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate
SMILESCOc1ccc(-c2conc2-c2cc(OC)c3c(c2)OCO3)cc1C(=O)[O-]
InChIInChI=1S/C19H15NO7/c1-23-14-4-3-10(5-12(14)19(21)22)13-8-27-20-17(13)11-6-15(24-2)18-16(7-11)25-9-26-18/h3-8H,9H2,1-2H3,(H,21,22)/p-1
InChIKeyRPBYMMRIWWMRHD-UHFFFAOYSA-M
XLogP2.12
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
CID 58712162
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
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol
CID 172676318
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-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]aniline
CID 59430123
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole
CID 58178174
4-amino-3-chloro-5-fluoro-6-(7-methoxy-1,3-benzodioxol-5-yl)pyridine-2-carboxylic acid
CID 90437752
5-methoxy-2-[3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]aniline
CID 58178009
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
5-[3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]-2-methylsulfanylaniline
CID 58178243

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate?
The IUPAC name of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate (CID 58712055) is 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate.
What is the SMILES notation for 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate?
The canonical SMILES for 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate is COc1ccc(-c2conc2-c2cc(OC)c3c(c2)OCO3)cc1C(=O)[O-].
What is the InChIKey of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate?
The InChIKey is RPBYMMRIWWMRHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15NO7/c1-23-14-4-3-10(5-12(14)19(21)22)13-8-27-20-17(13)11-6-15(24-2)18-16(7-11)25-9-26-18/h3-8H,9H2,1-2H3,(H,21,22)/p-1.
What are the key properties of 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate?
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate has a molecular weight of 368.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate is sourced from PubChem (CID 58712055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).