[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone

C16H10F3NO2 — CID 67663978

IUPAC[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C16H10F3NO2/c17-10-6-4-9(5-7-10)15(21)13-8-22-16(20-13)14-11(18)2-1-3-12(14)19/h1-7,13H,8H2
InChIKeyLAFJUEUCLMFUML-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.13
Rot. Bonds3

About [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone

[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 67663978) has the molecular formula C16H10F3NO2 and a molecular weight of 305.25 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID67663978
Molecular FormulaC16H10F3NO2
Molecular Weight305.25 g/mol
Exact Mass305.07
IUPAC Name[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C16H10F3NO2/c17-10-6-4-9(5-7-10)15(21)13-8-22-16(20-13)14-11(18)2-1-3-12(14)19/h1-7,13H,8H2
InChIKeyLAFJUEUCLMFUML-UHFFFAOYSA-N
XLogP3.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone (CID 67663978) is [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is LAFJUEUCLMFUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-10-6-4-9(5-7-10)15(21)13-8-22-16(20-13)14-11(18)2-1-3-12(14)19/h1-7,13H,8H2.
What are the key properties of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone?
[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 305.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67663978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).