4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C15H9F4NO — CID 14853270

IUPAC4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1
InChIInChI=1S/C15H9F4NO/c16-8-4-5-9(12(19)6-8)13-7-21-15(20-13)14-10(17)2-1-3-11(14)18/h1-6,13H,7H2
InChIKeyJZTAQTPONRDDNA-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.76
Rot. Bonds2

About 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853270) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853270
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1
InChIInChI=1S/C15H9F4NO/c16-8-4-5-9(12(19)6-8)13-7-21-15(20-13)14-10(17)2-1-3-11(14)18/h1-6,13H,7H2
InChIKeyJZTAQTPONRDDNA-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 14853270) is 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JZTAQTPONRDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c16-8-4-5-9(12(19)6-8)13-7-21-15(20-13)14-10(17)2-1-3-11(14)18/h1-6,13H,7H2.
What are the key properties of 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 295.24 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).