2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol

C14H9F2NO3 — CID 46934043

IUPAC2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol
SMILESOc1cccc2oc(COc3c(F)cccc3F)nc12
InChIInChI=1S/C14H9F2NO3/c15-8-3-1-4-9(16)14(8)19-7-12-17-13-10(18)5-2-6-11(13)20-12/h1-6,18H,7H2
InChIKeyFUWOYNOTANOIMB-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol

2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol (PubChem CID 46934043) has the molecular formula C14H9F2NO3 and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol.

Molecular Properties

Compound Name2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol
PubChem CID46934043
Molecular FormulaC14H9F2NO3
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol
SMILESOc1cccc2oc(COc3c(F)cccc3F)nc12
InChIInChI=1S/C14H9F2NO3/c15-8-3-1-4-9(16)14(8)19-7-12-17-13-10(18)5-2-6-11(13)20-12/h1-6,18H,7H2
InChIKeyFUWOYNOTANOIMB-UHFFFAOYSA-N
XLogP3.39
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol?
The IUPAC name of 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol (CID 46934043) is 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol.
What is the SMILES notation for 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol?
The canonical SMILES for 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol is Oc1cccc2oc(COc3c(F)cccc3F)nc12.
What is the InChIKey of 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol?
The InChIKey is FUWOYNOTANOIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3/c15-8-3-1-4-9(16)14(8)19-7-12-17-13-10(18)5-2-6-11(13)20-12/h1-6,18H,7H2.
What are the key properties of 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol?
2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol has a molecular weight of 277.23 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-4-ol is sourced from PubChem (CID 46934043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).