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

C24H21F2NO2 — CID 15411076

IUPAC4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol
SMILESCCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1O
InChIInChI=1S/C24H21F2NO2/c1-2-4-18-13-17(11-12-22(18)28)15-7-9-16(10-8-15)21-14-29-24(27-21)23-19(25)5-3-6-20(23)26/h3,5-13,21,28H,2,4,14H2,1H3
InChIKeyJGMSHQFGMWGEGJ-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.81
Rot. Bonds5

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

4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol (PubChem CID 15411076) has the molecular formula C24H21F2NO2 and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol.

Molecular Properties

Compound Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol
PubChem CID15411076
Molecular FormulaC24H21F2NO2
Molecular Weight393.43 g/mol
Exact Mass393.15
IUPAC Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol
SMILESCCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1O
InChIInChI=1S/C24H21F2NO2/c1-2-4-18-13-17(11-12-22(18)28)15-7-9-16(10-8-15)21-14-29-24(27-21)23-19(25)5-3-6-20(23)26/h3,5-13,21,28H,2,4,14H2,1H3
InChIKeyJGMSHQFGMWGEGJ-UHFFFAOYSA-N
XLogP5.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol?
The IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol (CID 15411076) is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol.
What is the SMILES notation for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol?
The canonical SMILES for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol is CCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1O.
What is the InChIKey of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol?
The InChIKey is JGMSHQFGMWGEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO2/c1-2-4-18-13-17(11-12-22(18)28)15-7-9-16(10-8-15)21-14-29-24(27-21)23-19(25)5-3-6-20(23)26/h3,5-13,21,28H,2,4,14H2,1H3.
What are the key properties of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol?
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2-propylphenol has a molecular weight of 393.43 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 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]-2-propylphenol is sourced from PubChem (CID 15411076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).