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

C9H8F3NO4 — CID 103199315

IUPAC2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-1-2-16-3-4/h4H,1-3H2,(H,14,15)
InChIKeyIYQCESATICJNPC-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.90
Rot. Bonds2

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

2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199315) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199315
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-1-2-16-3-4/h4H,1-3H2,(H,14,15)
InChIKeyIYQCESATICJNPC-UHFFFAOYSA-N
XLogP1.90
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199315) is 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(C2CCOC2)nc1C(F)(F)F.
What is the InChIKey of 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is IYQCESATICJNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c10-9(11,12)6-5(8(14)15)17-7(13-6)4-1-2-16-3-4/h4H,1-3H2,(H,14,15).
What are the key properties of 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 251.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).