4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole

C12H11F2NO — CID 141275533

IUPAC4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole
SMILESCCC(F)(F)c1cnoc1-c1ccccc1
InChIInChI=1S/C12H11F2NO/c1-2-12(13,14)10-8-15-16-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyWZAKWROPZXWFHR-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.84
Rot. Bonds3

About 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole

4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole (PubChem CID 141275533) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole
PubChem CID141275533
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole
SMILESCCC(F)(F)c1cnoc1-c1ccccc1
InChIInChI=1S/C12H11F2NO/c1-2-12(13,14)10-8-15-16-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyWZAKWROPZXWFHR-UHFFFAOYSA-N
XLogP3.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole?
The IUPAC name of 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole (CID 141275533) is 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole is CCC(F)(F)c1cnoc1-c1ccccc1.
What is the InChIKey of 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole?
The InChIKey is WZAKWROPZXWFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-2-12(13,14)10-8-15-16-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole?
4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole has a molecular weight of 223.22 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 141275533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).