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

C16H13F2NO — CID 11500042

IUPAC5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole
SMILESCN1OC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C16H13F2NO/c1-19-15(11-5-3-2-4-6-11)10-16(20-19)13-9-12(17)7-8-14(13)18/h2-10,15H,1H3
InChIKeyRFHWWABARGNOIL-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.92
Rot. Bonds2

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

5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole (PubChem CID 11500042) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole
PubChem CID11500042
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole
SMILESCN1OC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C16H13F2NO/c1-19-15(11-5-3-2-4-6-11)10-16(20-19)13-9-12(17)7-8-14(13)18/h2-10,15H,1H3
InChIKeyRFHWWABARGNOIL-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.92
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)-2-methyl-3-phenyl-3H-1,2-oxazole?
The IUPAC name of 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole (CID 11500042) is 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole is CN1OC(c2cc(F)ccc2F)=CC1c1ccccc1.
What is the InChIKey of 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole?
The InChIKey is RFHWWABARGNOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-19-15(11-5-3-2-4-6-11)10-16(20-19)13-9-12(17)7-8-14(13)18/h2-10,15H,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole?
5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole has a molecular weight of 273.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-2-methyl-3-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 11500042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).