5-(difluoromethyl)-1,2-oxazole

C4H3F2NO — CID 84647757

IUPAC5-(difluoromethyl)-1,2-oxazole
SMILESFC(F)c1ccno1
InChIInChI=1S/C4H3F2NO/c5-4(6)3-1-2-7-8-3/h1-2,4H
InChIKeyHZJXICDSJABYHA-UHFFFAOYSA-N
MW119.07 g/mol
LogP1.61
Rot. Bonds1

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

5-(difluoromethyl)-1,2-oxazole (PubChem CID 84647757) has the molecular formula C4H3F2NO and a molecular weight of 119.07 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2-oxazole
PubChem CID84647757
Molecular FormulaC4H3F2NO
Molecular Weight119.07 g/mol
Exact Mass119.02
IUPAC Name5-(difluoromethyl)-1,2-oxazole
SMILESFC(F)c1ccno1
InChIInChI=1S/C4H3F2NO/c5-4(6)3-1-2-7-8-3/h1-2,4H
InChIKeyHZJXICDSJABYHA-UHFFFAOYSA-N
XLogP1.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.07
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-1,2-oxazole (CID 84647757) is 5-(difluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-1,2-oxazole is FC(F)c1ccno1.
What is the InChIKey of 5-(difluoromethyl)-1,2-oxazole?
The InChIKey is HZJXICDSJABYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NO/c5-4(6)3-1-2-7-8-3/h1-2,4H.
What are the key properties of 5-(difluoromethyl)-1,2-oxazole?
5-(difluoromethyl)-1,2-oxazole has a molecular weight of 119.07 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2-oxazole is sourced from PubChem (CID 84647757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).