1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea

C11H8F3N3O2 — CID 108813927

IUPAC1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccno1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)16-10(18)17-9-5-6-15-19-9/h1-6H,(H2,16,17,18)
InChIKeyZPEXFLCJOKLDLF-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.34
Rot. Bonds2

About 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 108813927) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID108813927
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccno1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)16-10(18)17-9-5-6-15-19-9/h1-6H,(H2,16,17,18)
InChIKeyZPEXFLCJOKLDLF-UHFFFAOYSA-N
XLogP3.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 108813927) is 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccno1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZPEXFLCJOKLDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)16-10(18)17-9-5-6-15-19-9/h1-6H,(H2,16,17,18).
What are the key properties of 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 271.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108813927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).