3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid

C15H11NO4S — CID 43214269

IUPAC3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C15H11NO4S/c17-15(18)10-3-1-4-12(7-10)19-8-11-9-20-14(16-11)13-5-2-6-21-13/h1-7,9H,8H2,(H,17,18)
InChIKeyVNIFRACPEZPJME-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.68
Rot. Bonds5

About 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid

3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid (PubChem CID 43214269) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
PubChem CID43214269
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C15H11NO4S/c17-15(18)10-3-1-4-12(7-10)19-8-11-9-20-14(16-11)13-5-2-6-21-13/h1-7,9H,8H2,(H,17,18)
InChIKeyVNIFRACPEZPJME-UHFFFAOYSA-N
XLogP3.68
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 26054578
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
4-ethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]chromen-2-one
CID 7699897
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-(4-tert-butylphenoxy)acetate
CID 9327999
(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 4-formylbenzoate
CID 7669328

Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid (CID 43214269) is 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid is O=C(O)c1cccc(OCc2coc(-c3cccs3)n2)c1.
What is the InChIKey of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid?
The InChIKey is VNIFRACPEZPJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-15(18)10-3-1-4-12(7-10)19-8-11-9-20-14(16-11)13-5-2-6-21-13/h1-7,9H,8H2,(H,17,18).
What are the key properties of 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid?
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid has a molecular weight of 301.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 43214269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).