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

C11H8F3N3O2 — CID 971367

IUPAC1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccon1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)15-10(18)16-9-5-6-19-17-9/h1-6H,(H2,15,16,17,18)
InChIKeyULSOADZJCWAILF-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.34
Rot. Bonds2

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

1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 971367) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID971367
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccon1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)15-10(18)16-9-5-6-19-17-9/h1-6H,(H2,15,16,17,18)
InChIKeyULSOADZJCWAILF-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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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007
1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811972
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61400274
1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61394455
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
CID 14050947

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 971367) is 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccon1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ULSOADZJCWAILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-4-8(7)15-10(18)16-9-5-6-19-17-9/h1-6H,(H2,15,16,17,18).
What are the key properties of 1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(1,2-oxazol-3-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-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 971367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).