5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid

C14H11NO4S — CID 90326056

IUPAC5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2cc3ccccc3s2)on1
InChIInChI=1S/C14H11NO4S/c16-14(17)12-6-10(19-15-12)7-18-8-11-5-9-3-1-2-4-13(9)20-11/h1-6H,7-8H2,(H,16,17)
InChIKeyUXVVYTGLBYSROA-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.30
Rot. Bonds5

About 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid

5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 90326056) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID90326056
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2cc3ccccc3s2)on1
InChIInChI=1S/C14H11NO4S/c16-14(17)12-6-10(19-15-12)7-18-8-11-5-9-3-1-2-4-13(9)20-11/h1-6H,7-8H2,(H,16,17)
InChIKeyUXVVYTGLBYSROA-UHFFFAOYSA-N
XLogP3.30
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
2-(prop-2-enoxymethyl)-1-benzothiophene
CID 14323465
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
1-benzothiophen-2-ylmethyl N-methylcarbamate
CID 23548760
5-(1-phenylethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397458
5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325816
2-[1-(1-benzothiophen-2-ylmethoxy)ethenylamino]acetic acid
CID 144532145
5-[[phenyl(trifluoromethoxy)methoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 118536836
5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 83212217

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid (CID 90326056) is 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCc2cc3ccccc3s2)on1.
What is the InChIKey of 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UXVVYTGLBYSROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c16-14(17)12-6-10(19-15-12)7-18-8-11-5-9-3-1-2-4-13(9)20-11/h1-6H,7-8H2,(H,16,17).
What are the key properties of 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 90326056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).