3-(difluoromethyl)-5-methyl-1,2-oxazole

C5H5F2NO — CID 20691948

IUPAC3-(difluoromethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(C(F)F)no1
InChIInChI=1S/C5H5F2NO/c1-3-2-4(5(6)7)8-9-3/h2,5H,1H3
InChIKeyXCOQOHKZZDGRMN-UHFFFAOYSA-N
MW133.10 g/mol
LogP1.92
Rot. Bonds1

About 3-(difluoromethyl)-5-methyl-1,2-oxazole

3-(difluoromethyl)-5-methyl-1,2-oxazole (PubChem CID 20691948) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-1,2-oxazole
PubChem CID20691948
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name3-(difluoromethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(C(F)F)no1
InChIInChI=1S/C5H5F2NO/c1-3-2-4(5(6)7)8-9-3/h2,5H,1H3
InChIKeyXCOQOHKZZDGRMN-UHFFFAOYSA-N
XLogP1.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(difluoromethyl)-5-methyl-1,2-oxazole (CID 20691948) is 3-(difluoromethyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-1,2-oxazole is Cc1cc(C(F)F)no1.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-1,2-oxazole?
The InChIKey is XCOQOHKZZDGRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c1-3-2-4(5(6)7)8-9-3/h2,5H,1H3.
What are the key properties of 3-(difluoromethyl)-5-methyl-1,2-oxazole?
3-(difluoromethyl)-5-methyl-1,2-oxazole has a molecular weight of 133.10 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 20691948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).