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

C10H6F3NO3S — CID 25210997

IUPAC5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)s2)noc1C(F)(F)F
InChIInChI=1S/C10H6F3NO3S/c1-4-7(14-17-8(4)10(11,12)13)5-2-3-6(18-5)9(15)16/h2-3H,1H3,(H,15,16)
InChIKeyWGIGXEOTZJGHKR-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.43
Rot. Bonds2

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

5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid (PubChem CID 25210997) has the molecular formula C10H6F3NO3S and a molecular weight of 277.22 g/mol. Its IUPAC name is 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid
PubChem CID25210997
Molecular FormulaC10H6F3NO3S
Molecular Weight277.22 g/mol
Exact Mass277.00
IUPAC Name5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)s2)noc1C(F)(F)F
InChIInChI=1S/C10H6F3NO3S/c1-4-7(14-17-8(4)10(11,12)13)5-2-3-6(18-5)9(15)16/h2-3H,1H3,(H,15,16)
InChIKeyWGIGXEOTZJGHKR-UHFFFAOYSA-N
XLogP3.43
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid (CID 25210997) is 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid is Cc1c(-c2ccc(C(=O)O)s2)noc1C(F)(F)F.
What is the InChIKey of 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
The InChIKey is WGIGXEOTZJGHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO3S/c1-4-7(14-17-8(4)10(11,12)13)5-2-3-6(18-5)9(15)16/h2-3H,1H3,(H,15,16).
What are the key properties of 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid?
5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid has a molecular weight of 277.22 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 25210997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).