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

C20H21F2NO2 — CID 15279923

IUPAC4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(OCC2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C20H21F2NO2/c1-20(2,3)13-7-9-15(10-8-13)24-11-14-12-25-19(23-14)18-16(21)5-4-6-17(18)22/h4-10,14H,11-12H2,1-3H3
InChIKeyANIHHIKYNQEHMB-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.49
Rot. Bonds4

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

4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15279923) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15279923
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(OCC2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C20H21F2NO2/c1-20(2,3)13-7-9-15(10-8-13)24-11-14-12-25-19(23-14)18-16(21)5-4-6-17(18)22/h4-10,14H,11-12H2,1-3H3
InChIKeyANIHHIKYNQEHMB-UHFFFAOYSA-N
XLogP4.49
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 153974
CID 153974
CID 118528848
CID 118528848
CID 118528862
CID 118528862
CID 15007800
CID 15007800
CID 45102374
CID 45102374
CID 118528873
CID 118528873
CID 3041214
CID 3041214
CID 6446001
CID 6446001
CID 102142829
CID 102142829
CID 14853219
CID 14853219
CID 14853245
CID 14853245
CID 14853248
CID 14853248

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 15279923) is 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccc(OCC2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ANIHHIKYNQEHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-20(2,3)13-7-9-15(10-8-13)24-11-14-12-25-19(23-14)18-16(21)5-4-6-17(18)22/h4-10,14H,11-12H2,1-3H3.
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 345.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15279923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).