5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid

C11H11NO3S — CID 6492054

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1noc(C)c1Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H11NO3S/c1-6-9(7(2)15-12-6)5-8-3-4-10(16-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyDJFBZUOJSIVWLI-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.64
Rot. Bonds3

About 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 6492054) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid
PubChem CID6492054
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1noc(C)c1Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H11NO3S/c1-6-9(7(2)15-12-6)5-8-3-4-10(16-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyDJFBZUOJSIVWLI-UHFFFAOYSA-N
XLogP2.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid (CID 6492054) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid is Cc1noc(C)c1Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is DJFBZUOJSIVWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-6-9(7(2)15-12-6)5-8-3-4-10(16-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 6492054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).