2-(difluoromethyl)-1,3-oxazole

C4H3F2NO — CID 142510645

IUPAC2-(difluoromethyl)-1,3-oxazole
SMILESFC(F)c1ncco1
InChIInChI=1S/C4H3F2NO/c5-3(6)4-7-1-2-8-4/h1-3H
InChIKeyFAOIAALXEAYCSF-UHFFFAOYSA-N
MW119.07 g/mol
LogP1.61
Rot. Bonds1

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

2-(difluoromethyl)-1,3-oxazole (PubChem CID 142510645) has the molecular formula C4H3F2NO and a molecular weight of 119.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-oxazole
PubChem CID142510645
Molecular FormulaC4H3F2NO
Molecular Weight119.07 g/mol
Exact Mass119.02
IUPAC Name2-(difluoromethyl)-1,3-oxazole
SMILESFC(F)c1ncco1
InChIInChI=1S/C4H3F2NO/c5-3(6)4-7-1-2-8-4/h1-3H
InChIKeyFAOIAALXEAYCSF-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 2-(difluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(difluoromethyl)-1,3-oxazole (CID 142510645) is 2-(difluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(difluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(difluoromethyl)-1,3-oxazole is FC(F)c1ncco1.
What is the InChIKey of 2-(difluoromethyl)-1,3-oxazole?
The InChIKey is FAOIAALXEAYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NO/c5-3(6)4-7-1-2-8-4/h1-3H.
What are the key properties of 2-(difluoromethyl)-1,3-oxazole?
2-(difluoromethyl)-1,3-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 2-(difluoromethyl)-1,3-oxazole is sourced from PubChem (CID 142510645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).