5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid

C10H10F3NO3 — CID 106821236

IUPAC5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)noc1C1CCCC1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)8-6(9(15)16)7(17-14-8)5-3-1-2-4-5/h5H,1-4H2,(H,15,16)
InChIKeySSPHUBWTYIKOSV-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.05
Rot. Bonds2

About 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid

5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 106821236) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID106821236
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)noc1C1CCCC1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)8-6(9(15)16)7(17-14-8)5-3-1-2-4-5/h5H,1-4H2,(H,15,16)
InChIKeySSPHUBWTYIKOSV-UHFFFAOYSA-N
XLogP3.05
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (CID 106821236) is 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(C(F)(F)F)noc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is SSPHUBWTYIKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)8-6(9(15)16)7(17-14-8)5-3-1-2-4-5/h5H,1-4H2,(H,15,16).
What are the key properties of 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 106821236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).