2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole

C29H20F5NO2 — CID 10973245

IUPAC2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C29H20F5NO2/c30-24-2-1-3-25(31)27(24)28-35-26(17-37-28)21-8-6-19(7-9-21)20-10-14-23(15-11-20)36-16-18-4-12-22(13-5-18)29(32,33)34/h1-15,26H,16-17H2
InChIKeyRJGKXMCLVKPVRR-UHFFFAOYSA-N
MW509.47 g/mol
LogP7.75
Rot. Bonds6

About 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 10973245) has the molecular formula C29H20F5NO2 and a molecular weight of 509.47 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID10973245
Molecular FormulaC29H20F5NO2
Molecular Weight509.47 g/mol
Exact Mass509.14
IUPAC Name2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C29H20F5NO2/c30-24-2-1-3-25(31)27(24)28-35-26(17-37-28)21-8-6-19(7-9-21)20-10-14-23(15-11-20)36-16-18-4-12-22(13-5-18)29(32,33)34/h1-15,26H,16-17H2
InChIKeyRJGKXMCLVKPVRR-UHFFFAOYSA-N
XLogP7.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.47
LogP ≤ 57.75
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-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 10973245) is 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RJGKXMCLVKPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F5NO2/c30-24-2-1-3-25(31)27(24)28-35-26(17-37-28)21-8-6-19(7-9-21)20-10-14-23(15-11-20)36-16-18-4-12-22(13-5-18)29(32,33)34/h1-15,26H,16-17H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 509.47 g/mol, XLogP of 7.75, 6 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-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10973245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).