[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol

C11H9F2NO3 — CID 178133095

IUPAC[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C11H9F2NO3/c12-11(13)16-10-4-2-1-3-8(10)9-5-7(6-15)17-14-9/h1-5,11,15H,6H2
InChIKeyHIQVXOSVKNLGPD-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.44
Rot. Bonds4

About [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol

[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol (PubChem CID 178133095) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol
PubChem CID178133095
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C11H9F2NO3/c12-11(13)16-10-4-2-1-3-8(10)9-5-7(6-15)17-14-9/h1-5,11,15H,6H2
InChIKeyHIQVXOSVKNLGPD-UHFFFAOYSA-N
XLogP2.44
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol (CID 178133095) is [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol is OCc1cc(-c2ccccc2OC(F)F)no1.
What is the InChIKey of [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is HIQVXOSVKNLGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-11(13)16-10-4-2-1-3-8(10)9-5-7(6-15)17-14-9/h1-5,11,15H,6H2.
What are the key properties of [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol?
[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 241.19 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 178133095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).