4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole

C21H23F2NO2 — CID 70293533

IUPAC4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole
SMILESCC(C)(C)C1(OCCc2ccccc2)N=C(c2ccccc2)OC1(F)F
InChIInChI=1S/C21H23F2NO2/c1-19(2,3)20(25-15-14-16-10-6-4-7-11-16)21(22,23)26-18(24-20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyUVHWMRZHWARDDR-UHFFFAOYSA-N
MW359.42 g/mol
LogP5.06
Rot. Bonds5

About 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole

4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole (PubChem CID 70293533) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole
PubChem CID70293533
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole
SMILESCC(C)(C)C1(OCCc2ccccc2)N=C(c2ccccc2)OC1(F)F
InChIInChI=1S/C21H23F2NO2/c1-19(2,3)20(25-15-14-16-10-6-4-7-11-16)21(22,23)26-18(24-20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyUVHWMRZHWARDDR-UHFFFAOYSA-N
XLogP5.06
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole?
The IUPAC name of 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole (CID 70293533) is 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole is CC(C)(C)C1(OCCc2ccccc2)N=C(c2ccccc2)OC1(F)F.
What is the InChIKey of 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole?
The InChIKey is UVHWMRZHWARDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c1-19(2,3)20(25-15-14-16-10-6-4-7-11-16)21(22,23)26-18(24-20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole?
4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole has a molecular weight of 359.42 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole is sourced from PubChem (CID 70293533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).