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

C10H11F2NO4 — CID 103199060

IUPAC4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC1CC(c2nc(C(F)F)c(C(=O)O)o2)CO1
InChIInChI=1S/C10H11F2NO4/c1-4-2-5(3-16-4)9-13-6(8(11)12)7(17-9)10(14)15/h4-5,8H,2-3H2,1H3,(H,14,15)
InChIKeyZJQIYJDOZZHLRE-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.20
Rot. Bonds3

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

4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199060) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199060
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC1CC(c2nc(C(F)F)c(C(=O)O)o2)CO1
InChIInChI=1S/C10H11F2NO4/c1-4-2-5(3-16-4)9-13-6(8(11)12)7(17-9)10(14)15/h4-5,8H,2-3H2,1H3,(H,14,15)
InChIKeyZJQIYJDOZZHLRE-UHFFFAOYSA-N
XLogP2.20
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid (CID 103199060) is 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid is CC1CC(c2nc(C(F)F)c(C(=O)O)o2)CO1.
What is the InChIKey of 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZJQIYJDOZZHLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-4-2-5(3-16-4)9-13-6(8(11)12)7(17-9)10(14)15/h4-5,8H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 247.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).