1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone

C16H17F2NO3 — CID 86783394

IUPAC1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(F)cc1OCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C16H17F2NO3/c1-9(20)15-11(18)5-10(17)6-12(15)21-8-14-19-7-13(22-14)16(2,3)4/h5-7H,8H2,1-4H3
InChIKeyIWRWBOXJEZRJJO-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone

1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone (PubChem CID 86783394) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone
PubChem CID86783394
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(F)cc1OCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C16H17F2NO3/c1-9(20)15-11(18)5-10(17)6-12(15)21-8-14-19-7-13(22-14)16(2,3)4/h5-7H,8H2,1-4H3
InChIKeyIWRWBOXJEZRJJO-UHFFFAOYSA-N
XLogP4.03
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone?
The IUPAC name of 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone (CID 86783394) is 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone is CC(=O)c1c(F)cc(F)cc1OCc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone?
The InChIKey is IWRWBOXJEZRJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c1-9(20)15-11(18)5-10(17)6-12(15)21-8-14-19-7-13(22-14)16(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone?
1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone has a molecular weight of 309.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4,6-difluorophenyl]ethanone is sourced from PubChem (CID 86783394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).