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

C22H25F2NO3 — CID 19424079

IUPAC2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCOCCc1cc(C)c(OCC2COC(c3c(F)cccc3F)=N2)c(C)c1
InChIInChI=1S/C22H25F2NO3/c1-4-26-9-8-16-10-14(2)21(15(3)11-16)27-12-17-13-28-22(25-17)20-18(23)6-5-7-19(20)24/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3
InChIKeyMVXWEEHATIQMIV-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.39
Rot. Bonds8

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

2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 19424079) has the molecular formula C22H25F2NO3 and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID19424079
Molecular FormulaC22H25F2NO3
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCOCCc1cc(C)c(OCC2COC(c3c(F)cccc3F)=N2)c(C)c1
InChIInChI=1S/C22H25F2NO3/c1-4-26-9-8-16-10-14(2)21(15(3)11-16)27-12-17-13-28-22(25-17)20-18(23)6-5-7-19(20)24/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3
InChIKeyMVXWEEHATIQMIV-UHFFFAOYSA-N
XLogP4.39
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole (CID 19424079) is 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole is CCOCCc1cc(C)c(OCC2COC(c3c(F)cccc3F)=N2)c(C)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MVXWEEHATIQMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO3/c1-4-26-9-8-16-10-14(2)21(15(3)11-16)27-12-17-13-28-22(25-17)20-18(23)6-5-7-19(20)24/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 389.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19424079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).