3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid

C15H11NO4S — CID 63336486

IUPAC3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C15H11NO4S/c17-15(18)13-12(6-7-21-13)19-8-11-9-20-14(16-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)
InChIKeyZBSFNZDYVHRUHB-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.68
Rot. Bonds5

About 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid

3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63336486) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID63336486
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C15H11NO4S/c17-15(18)13-12(6-7-21-13)19-8-11-9-20-14(16-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)
InChIKeyZBSFNZDYVHRUHB-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

3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 63336257
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 63335925
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 47030230
3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 55200988
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid (CID 63336486) is 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1sccc1OCc1coc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is ZBSFNZDYVHRUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-15(18)13-12(6-7-21-13)19-8-11-9-20-14(16-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18).
What are the key properties of 3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic 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-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).