3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one

C10H6BrF2NO2 — CID 171699733

IUPAC3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one
SMILESO=c1occn1Cc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H6BrF2NO2/c11-6-3-8(12)7(9(13)4-6)5-14-1-2-16-10(14)15/h1-4H,5H2
InChIKeyVYFKEAQRBIYULX-UHFFFAOYSA-N
MW290.06 g/mol
LogP2.53
Rot. Bonds2

About 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one

3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one (PubChem CID 171699733) has the molecular formula C10H6BrF2NO2 and a molecular weight of 290.06 g/mol. Its IUPAC name is 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one
PubChem CID171699733
Molecular FormulaC10H6BrF2NO2
Molecular Weight290.06 g/mol
Exact Mass288.95
IUPAC Name3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one
SMILESO=c1occn1Cc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H6BrF2NO2/c11-6-3-8(12)7(9(13)4-6)5-14-1-2-16-10(14)15/h1-4H,5H2
InChIKeyVYFKEAQRBIYULX-UHFFFAOYSA-N
XLogP2.53
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one?
The IUPAC name of 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one (CID 171699733) is 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one.
What is the SMILES notation for 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one?
The canonical SMILES for 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one is O=c1occn1Cc1c(F)cc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one?
The InChIKey is VYFKEAQRBIYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NO2/c11-6-3-8(12)7(9(13)4-6)5-14-1-2-16-10(14)15/h1-4H,5H2.
What are the key properties of 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one?
3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one has a molecular weight of 290.06 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2,6-difluorophenyl)methyl]-1,3-oxazol-2-one is sourced from PubChem (CID 171699733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).