methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate

C17H15NO5S — CID 17420011

IUPACmethyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2coc(-c3cccs3)n2)c(OC)c1
InChIInChI=1S/C17H15NO5S/c1-20-14-8-11(17(19)21-2)5-6-13(14)22-9-12-10-23-16(18-12)15-4-3-7-24-15/h3-8,10H,9H2,1-2H3
InChIKeyFNMITGMOYFHWQR-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.78
Rot. Bonds6

About methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate

methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate (PubChem CID 17420011) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
PubChem CID17420011
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Namemethyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2coc(-c3cccs3)n2)c(OC)c1
InChIInChI=1S/C17H15NO5S/c1-20-14-8-11(17(19)21-2)5-6-13(14)22-9-12-10-23-16(18-12)15-4-3-7-24-15/h3-8,10H,9H2,1-2H3
InChIKeyFNMITGMOYFHWQR-UHFFFAOYSA-N
XLogP3.78
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 26054578
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681088
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 41425118
1-[5-fluoro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112787694
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 7695771
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 17443233

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate (CID 17420011) is methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate is COC(=O)c1ccc(OCc2coc(-c3cccs3)n2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate?
The InChIKey is FNMITGMOYFHWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-20-14-8-11(17(19)21-2)5-6-13(14)22-9-12-10-23-16(18-12)15-4-3-7-24-15/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate?
methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate has a molecular weight of 345.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 17420011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).