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

C23H16F5NO2 — CID 19046996

IUPAC2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C23H16F5NO2/c1-13-11-15(14-5-8-16(9-6-14)31-23(26,27)28)7-10-17(13)20-12-30-22(29-20)21-18(24)3-2-4-19(21)25/h2-11,20H,12H2,1H3
InChIKeyVMXWXLXWCPCNRW-UHFFFAOYSA-N
MW433.38 g/mol
LogP6.36
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 19046996) has the molecular formula C23H16F5NO2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID19046996
Molecular FormulaC23H16F5NO2
Molecular Weight433.38 g/mol
Exact Mass433.11
IUPAC Name2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C23H16F5NO2/c1-13-11-15(14-5-8-16(9-6-14)31-23(26,27)28)7-10-17(13)20-12-30-22(29-20)21-18(24)3-2-4-19(21)25/h2-11,20H,12H2,1H3
InChIKeyVMXWXLXWCPCNRW-UHFFFAOYSA-N
XLogP6.36
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

Etoxazole
CID 153974
4-(4-Decoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15007800
2-(2,6-Difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 14853219
2-(2,6-Difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
CID 14853245
4-(4-Butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853248
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853255
2-(2,6-Difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 15007796
2-(2,6-Difluorophenyl)-4-(4-tridecoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 15007808
2-(2,6-Difluorophenyl)-4-(4-tetradecoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 15007809
4-(4-Decyl-2-methoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008045
2-(2,6-Difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008050
4-(4-Tert-butyl-2-methoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76308797

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 19046996) is 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VMXWXLXWCPCNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5NO2/c1-13-11-15(14-5-8-16(9-6-14)31-23(26,27)28)7-10-17(13)20-12-30-22(29-20)21-18(24)3-2-4-19(21)25/h2-11,20H,12H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 433.38 g/mol, XLogP of 6.36, 4 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-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19046996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).