2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole

C18H17F2NO2 — CID 14853245

IUPAC2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)Oc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C18H17F2NO2/c1-11(2)23-13-8-6-12(7-9-13)16-10-22-18(21-16)17-14(19)4-3-5-15(17)20/h3-9,11,16H,10H2,1-2H3
InChIKeyUBDGCTWEYRNANG-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.27
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853245) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853245
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)Oc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C18H17F2NO2/c1-11(2)23-13-8-6-12(7-9-13)16-10-22-18(21-16)17-14(19)4-3-5-15(17)20/h3-9,11,16H,10H2,1-2H3
InChIKeyUBDGCTWEYRNANG-UHFFFAOYSA-N
XLogP4.27
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.27
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-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole (CID 14853245) is 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole is CC(C)Oc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UBDGCTWEYRNANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-11(2)23-13-8-6-12(7-9-13)16-10-22-18(21-16)17-14(19)4-3-5-15(17)20/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 317.34 g/mol, XLogP of 4.27, 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-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).