1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea

C10H6F3N3O2 — CID 108814211

IUPAC1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccno1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H6F3N3O2/c11-5-1-2-6(9(13)8(5)12)15-10(17)16-7-3-4-14-18-7/h1-4H,(H2,15,16,17)
InChIKeyBYUIPJXZVAMKRW-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.74
Rot. Bonds2

About 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea

1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108814211) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108814211
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccno1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H6F3N3O2/c11-5-1-2-6(9(13)8(5)12)15-10(17)16-7-3-4-14-18-7/h1-4H,(H2,15,16,17)
InChIKeyBYUIPJXZVAMKRW-UHFFFAOYSA-N
XLogP2.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-Dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 2744685
N-isoxazol-5-yl-N'-phenylurea
CID 2744683
N-isoxazol-5-yl-N'-(4-methylphenyl)urea
CID 2744684
1-(4-Chlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 2744686
5-amino-N-(2-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 59803523
1-(1,2-Oxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108813936
1-(4-Fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814003
1-(1,2-Oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108814216
N-[(4-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
CID 2744430
1-(1,2-Oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813927
4-(4-fluorophenyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 108814011
1-(2-Fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814054

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea (CID 108814211) is 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1ccno1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is BYUIPJXZVAMKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-5-1-2-6(9(13)8(5)12)15-10(17)16-7-3-4-14-18-7/h1-4H,(H2,15,16,17).
What are the key properties of 1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea?
1-(1,2-oxazol-5-yl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 257.17 g/mol, XLogP of 2.74, 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-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108814211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).