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

C9H7NO4S — CID 106921158

IUPAC5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid
SMILESCc1coc(Sc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C9H7NO4S/c1-5-4-13-9(10-5)15-7-3-2-6(14-7)8(11)12/h2-4H,1H3,(H,11,12)
InChIKeyIMYQHVBOPREFMM-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.43
Rot. Bonds3

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

5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid (PubChem CID 106921158) has the molecular formula C9H7NO4S and a molecular weight of 225.22 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid
PubChem CID106921158
Molecular FormulaC9H7NO4S
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Name5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid
SMILESCc1coc(Sc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C9H7NO4S/c1-5-4-13-9(10-5)15-7-3-2-6(14-7)8(11)12/h2-4H,1H3,(H,11,12)
InChIKeyIMYQHVBOPREFMM-UHFFFAOYSA-N
XLogP2.43
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid (CID 106921158) is 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid is Cc1coc(Sc2ccc(C(=O)O)o2)n1.
What is the InChIKey of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid?
The InChIKey is IMYQHVBOPREFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c1-5-4-13-9(10-5)15-7-3-2-6(14-7)8(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid?
5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 106921158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).