4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one

C21H19F2NO2 — CID 11760045

IUPAC4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)CC1
InChIInChI=1S/C21H19F2NO2/c22-17-2-1-3-18(23)20(17)21-24-19(12-26-21)15-6-4-13(5-7-15)14-8-10-16(25)11-9-14/h1-7,14,19H,8-12H2
InChIKeyZJZRXZBJLBHUAT-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.71
Rot. Bonds3

About 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one

4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one (PubChem CID 11760045) has the molecular formula C21H19F2NO2 and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one
PubChem CID11760045
Molecular FormulaC21H19F2NO2
Molecular Weight355.38 g/mol
Exact Mass355.14
IUPAC Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)CC1
InChIInChI=1S/C21H19F2NO2/c22-17-2-1-3-18(23)20(17)21-24-19(12-26-21)15-6-4-13(5-7-15)14-8-10-16(25)11-9-14/h1-7,14,19H,8-12H2
InChIKeyZJZRXZBJLBHUAT-UHFFFAOYSA-N
XLogP4.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one?
The IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one (CID 11760045) is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one is O=C1CCC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one?
The InChIKey is ZJZRXZBJLBHUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2/c22-17-2-1-3-18(23)20(17)21-24-19(12-26-21)15-6-4-13(5-7-15)14-8-10-16(25)11-9-14/h1-7,14,19H,8-12H2.
What are the key properties of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one?
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one has a molecular weight of 355.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one is sourced from PubChem (CID 11760045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).