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

C12H15F2NO4 — CID 103198830

IUPAC4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC1OC(C)C(c2nc(C(F)F)c(C(=O)O)o2)C1C
InChIInChI=1S/C12H15F2NO4/c1-4-5(2)18-6(3)7(4)11-15-8(10(13)14)9(19-11)12(16)17/h4-7,10H,1-3H3,(H,16,17)
InChIKeySOVLYMLLZRAJOE-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.84
Rot. Bonds3

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

4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103198830) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID103198830
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC Name4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC1OC(C)C(c2nc(C(F)F)c(C(=O)O)o2)C1C
InChIInChI=1S/C12H15F2NO4/c1-4-5(2)18-6(3)7(4)11-15-8(10(13)14)9(19-11)12(16)17/h4-7,10H,1-3H3,(H,16,17)
InChIKeySOVLYMLLZRAJOE-UHFFFAOYSA-N
XLogP2.84
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid (CID 103198830) is 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid is CC1OC(C)C(c2nc(C(F)F)c(C(=O)O)o2)C1C.
What is the InChIKey of 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is SOVLYMLLZRAJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-4-5(2)18-6(3)7(4)11-15-8(10(13)14)9(19-11)12(16)17/h4-7,10H,1-3H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 275.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103198830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).