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

C10H10F3NO4 — CID 103199322

IUPAC2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC1OCCC1c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H10F3NO4/c1-4-5(2-3-17-4)8-14-7(10(11,12)13)6(18-8)9(15)16/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyRRSFDANSINITFO-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.28
Rot. Bonds2

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

2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199322) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199322
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC1OCCC1c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H10F3NO4/c1-4-5(2-3-17-4)8-14-7(10(11,12)13)6(18-8)9(15)16/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyRRSFDANSINITFO-UHFFFAOYSA-N
XLogP2.28
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199322) is 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is CC1OCCC1c1nc(C(F)(F)F)c(C(=O)O)o1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is RRSFDANSINITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-4-5(2-3-17-4)8-14-7(10(11,12)13)6(18-8)9(15)16/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).