4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid

C11H11NO5S — CID 114373983

IUPAC4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2sccc2OC)oc1C(=O)O
InChIInChI=1S/C11H11NO5S/c1-15-5-6-8(11(13)14)17-10(12-6)9-7(16-2)3-4-18-9/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyZVNLKBAUWBUMFF-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.26
Rot. Bonds5

About 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid

4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114373983) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID114373983
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2sccc2OC)oc1C(=O)O
InChIInChI=1S/C11H11NO5S/c1-15-5-6-8(11(13)14)17-10(12-6)9-7(16-2)3-4-18-9/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyZVNLKBAUWBUMFF-UHFFFAOYSA-N
XLogP2.26
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114372915
2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373867
2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114033584
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
methyl 4-tert-butyl-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylate
CID 114370887
4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114374014
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373797
2-(3-chloro-4-methylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373845
2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114561293
2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373802
4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 81119621
ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619254

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid (CID 114373983) is 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid is COCc1nc(-c2sccc2OC)oc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZVNLKBAUWBUMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S/c1-15-5-6-8(11(13)14)17-10(12-6)9-7(16-2)3-4-18-9/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid?
4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).