5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole

C18H17F2NO — CID 11493172

IUPAC5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole
SMILESCC(C)N1OC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C18H17F2NO/c1-12(2)21-17(13-6-4-3-5-7-13)11-18(22-21)15-10-14(19)8-9-16(15)20/h3-12,17H,1-2H3
InChIKeyUOESQHXDOQJSIO-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.70
Rot. Bonds3

About 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole

5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole (PubChem CID 11493172) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole
PubChem CID11493172
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole
SMILESCC(C)N1OC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C18H17F2NO/c1-12(2)21-17(13-6-4-3-5-7-13)11-18(22-21)15-10-14(19)8-9-16(15)20/h3-12,17H,1-2H3
InChIKeyUOESQHXDOQJSIO-UHFFFAOYSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole?
The IUPAC name of 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole (CID 11493172) is 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole is CC(C)N1OC(c2cc(F)ccc2F)=CC1c1ccccc1.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole?
The InChIKey is UOESQHXDOQJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-12(2)21-17(13-6-4-3-5-7-13)11-18(22-21)15-10-14(19)8-9-16(15)20/h3-12,17H,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole?
5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole has a molecular weight of 301.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-phenyl-2-propan-2-yl-3H-1,2-oxazole is sourced from PubChem (CID 11493172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).