1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea

C15H8F5N3O3 — CID 155809951

IUPAC1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea
SMILESO=C(Nc1nc2ccc(OC(F)(F)F)cc2o1)Nc1c(F)cccc1F
InChIInChI=1S/C15H8F5N3O3/c16-8-2-1-3-9(17)12(8)22-13(24)23-14-21-10-5-4-7(6-11(10)25-14)26-15(18,19)20/h1-6H,(H2,21,22,23,24)
InChIKeyLINOAQBQOBRBNT-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea

1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea (PubChem CID 155809951) has the molecular formula C15H8F5N3O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea
PubChem CID155809951
Molecular FormulaC15H8F5N3O3
Molecular Weight373.24 g/mol
Exact Mass373.05
IUPAC Name1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea
SMILESO=C(Nc1nc2ccc(OC(F)(F)F)cc2o1)Nc1c(F)cccc1F
InChIInChI=1S/C15H8F5N3O3/c16-8-2-1-3-9(17)12(8)22-13(24)23-14-21-10-5-4-7(6-11(10)25-14)26-15(18,19)20/h1-6H,(H2,21,22,23,24)
InChIKeyLINOAQBQOBRBNT-UHFFFAOYSA-N
XLogP4.65
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea (CID 155809951) is 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea is O=C(Nc1nc2ccc(OC(F)(F)F)cc2o1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea?
The InChIKey is LINOAQBQOBRBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O3/c16-8-2-1-3-9(17)12(8)22-13(24)23-14-21-10-5-4-7(6-11(10)25-14)26-15(18,19)20/h1-6H,(H2,21,22,23,24).
What are the key properties of 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea?
1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea has a molecular weight of 373.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]urea is sourced from PubChem (CID 155809951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).