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

C26H25F2NO2 — CID 19424106

IUPAC2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCc1ccc(-c2c(C)cc(OCC3COC(c4c(F)cccc4F)=N3)cc2C)cc1
InChIInChI=1S/C26H25F2NO2/c1-4-18-8-10-19(11-9-18)24-16(2)12-21(13-17(24)3)30-14-20-15-31-26(29-20)25-22(27)6-5-7-23(25)28/h5-13,20H,4,14-15H2,1-3H3
InChIKeyMFIVSQAGVNPVNM-UHFFFAOYSA-N
MW421.49 g/mol
LogP6.04
Rot. Bonds6

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

2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 19424106) has the molecular formula C26H25F2NO2 and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID19424106
Molecular FormulaC26H25F2NO2
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCc1ccc(-c2c(C)cc(OCC3COC(c4c(F)cccc4F)=N3)cc2C)cc1
InChIInChI=1S/C26H25F2NO2/c1-4-18-8-10-19(11-9-18)24-16(2)12-21(13-17(24)3)30-14-20-15-31-26(29-20)25-22(27)6-5-7-23(25)28/h5-13,20H,4,14-15H2,1-3H3
InChIKeyMFIVSQAGVNPVNM-UHFFFAOYSA-N
XLogP6.04
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 56.04
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-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole (CID 19424106) is 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole is CCc1ccc(-c2c(C)cc(OCC3COC(c4c(F)cccc4F)=N3)cc2C)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MFIVSQAGVNPVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO2/c1-4-18-8-10-19(11-9-18)24-16(2)12-21(13-17(24)3)30-14-20-15-31-26(29-20)25-22(27)6-5-7-23(25)28/h5-13,20H,4,14-15H2,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 421.49 g/mol, XLogP of 6.04, 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-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19424106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).