1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone

C17H15NO4S — CID 26054578

IUPAC1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1coc(-c2cccs2)n1
InChIInChI=1S/C17H15NO4S/c1-11(19)12-5-6-14(15(8-12)20-2)21-9-13-10-22-17(18-13)16-4-3-7-23-16/h3-8,10H,9H2,1-2H3
InChIKeyXLTPPLWMFBBLLM-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.19
Rot. Bonds6

About 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone

1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 26054578) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
PubChem CID26054578
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1coc(-c2cccs2)n1
InChIInChI=1S/C17H15NO4S/c1-11(19)12-5-6-14(15(8-12)20-2)21-9-13-10-22-17(18-13)16-4-3-7-23-16/h3-8,10H,9H2,1-2H3
InChIKeyXLTPPLWMFBBLLM-UHFFFAOYSA-N
XLogP4.19
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011
1-[5-fluoro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112787694
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 17443233
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
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 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 41425118
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone (CID 26054578) is 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1coc(-c2cccs2)n1.
What is the InChIKey of 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is XLTPPLWMFBBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-11(19)12-5-6-14(15(8-12)20-2)21-9-13-10-22-17(18-13)16-4-3-7-23-16/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 329.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 26054578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).