5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid

C9H6N2O4S — CID 62915073

IUPAC5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cnoc2)s1
InChIInChI=1S/C9H6N2O4S/c12-8(11-5-3-10-15-4-5)6-1-2-7(16-6)9(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKeyJAGZOICGUKTOPQ-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.69
Rot. Bonds3

About 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid

5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 62915073) has the molecular formula C9H6N2O4S and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID62915073
Molecular FormulaC9H6N2O4S
Molecular Weight238.22 g/mol
Exact Mass238.00
IUPAC Name5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cnoc2)s1
InChIInChI=1S/C9H6N2O4S/c12-8(11-5-3-10-15-4-5)6-1-2-7(16-6)9(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKeyJAGZOICGUKTOPQ-UHFFFAOYSA-N
XLogP1.69
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid (CID 62915073) is 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2cnoc2)s1.
What is the InChIKey of 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is JAGZOICGUKTOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4S/c12-8(11-5-3-10-15-4-5)6-1-2-7(16-6)9(13)14/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid?
5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-4-ylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 62915073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).