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

C10H7F2NO3S — CID 25210999

IUPAC5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)s2)noc1C(F)F
InChIInChI=1S/C10H7F2NO3S/c1-4-7(13-16-8(4)9(11)12)5-2-3-6(17-5)10(14)15/h2-3,9H,1H3,(H,14,15)
InChIKeyWNIPIWGOPDTHLD-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.35
Rot. Bonds3

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

5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid (PubChem CID 25210999) has the molecular formula C10H7F2NO3S and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid
PubChem CID25210999
Molecular FormulaC10H7F2NO3S
Molecular Weight259.23 g/mol
Exact Mass259.01
IUPAC Name5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)s2)noc1C(F)F
InChIInChI=1S/C10H7F2NO3S/c1-4-7(13-16-8(4)9(11)12)5-2-3-6(17-5)10(14)15/h2-3,9H,1H3,(H,14,15)
InChIKeyWNIPIWGOPDTHLD-UHFFFAOYSA-N
XLogP3.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid (CID 25210999) is 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid is Cc1c(-c2ccc(C(=O)O)s2)noc1C(F)F.
What is the InChIKey of 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
The InChIKey is WNIPIWGOPDTHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3S/c1-4-7(13-16-8(4)9(11)12)5-2-3-6(17-5)10(14)15/h2-3,9H,1H3,(H,14,15).
What are the key properties of 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid has a molecular weight of 259.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 25210999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).