3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole

C13H13F2NO2 — CID 90125012

IUPAC3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole
SMILESCCC(F)(F)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H13F2NO2/c1-2-13(14,15)17-9-11-8-12(18-16-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyFFOLEYRWFVNRSD-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.86
Rot. Bonds5

About 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole

3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole (PubChem CID 90125012) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole
PubChem CID90125012
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole
SMILESCCC(F)(F)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H13F2NO2/c1-2-13(14,15)17-9-11-8-12(18-16-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyFFOLEYRWFVNRSD-UHFFFAOYSA-N
XLogP3.86
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
CID 8568214
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
CID 170889270
(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 8579182
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 97082942
(5-phenyl-1,2-oxazol-3-yl)methyl adamantane-2-carboxylate
CID 9339187
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
1,1-diethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078072
5-(3-methylphenyl)-3-(methylsulfanyloxymethyl)-1,2-oxazole
CID 143797490
2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol
CID 113244583
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole?
The IUPAC name of 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole (CID 90125012) is 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole is CCC(F)(F)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole?
The InChIKey is FFOLEYRWFVNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-2-13(14,15)17-9-11-8-12(18-16-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3.
What are the key properties of 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole?
3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole has a molecular weight of 253.25 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 90125012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).