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

C16H10F3N3O2 — CID 108812789

IUPAC1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O2/c17-10-6-7-11(15(19)14(10)18)20-16(23)21-13-8-12(24-22-13)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22,23)
InChIKeyBZSAXTDCWSWHMH-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.40
Rot. Bonds3

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

1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108812789) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108812789
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O2/c17-10-6-7-11(15(19)14(10)18)20-16(23)21-13-8-12(24-22-13)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22,23)
InChIKeyBZSAXTDCWSWHMH-UHFFFAOYSA-N
XLogP4.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 16878555
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea
CID 51135954

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea (CID 108812789) is 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1cc(-c2ccccc2)on1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is BZSAXTDCWSWHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-10-6-7-11(15(19)14(10)18)20-16(23)21-13-8-12(24-22-13)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22,23).
What are the key properties of 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea?
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 333.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108812789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).