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

C5H5F2NO — CID 138661281

IUPAC4-(difluoromethyl)-5-methyl-1,3-oxazole
SMILESCc1ocnc1C(F)F
InChIInChI=1S/C5H5F2NO/c1-3-4(5(6)7)8-2-9-3/h2,5H,1H3
InChIKeyFECHGBAIQCCYLX-UHFFFAOYSA-N
MW133.10 g/mol
LogP1.92
Rot. Bonds1

About 4-(difluoromethyl)-5-methyl-1,3-oxazole

4-(difluoromethyl)-5-methyl-1,3-oxazole (PubChem CID 138661281) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-1,3-oxazole
PubChem CID138661281
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name4-(difluoromethyl)-5-methyl-1,3-oxazole
SMILESCc1ocnc1C(F)F
InChIInChI=1S/C5H5F2NO/c1-3-4(5(6)7)8-2-9-3/h2,5H,1H3
InChIKeyFECHGBAIQCCYLX-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 4-(difluoromethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-methyl-1,3-oxazole (CID 138661281) is 4-(difluoromethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-1,3-oxazole is Cc1ocnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-1,3-oxazole?
The InChIKey is FECHGBAIQCCYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c1-3-4(5(6)7)8-2-9-3/h2,5H,1H3.
What are the key properties of 4-(difluoromethyl)-5-methyl-1,3-oxazole?
4-(difluoromethyl)-5-methyl-1,3-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 4-(difluoromethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 138661281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).