1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea

C16H12FN3O2 — CID 11551112

IUPAC1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H12FN3O2/c17-12-4-6-13(7-5-12)19-16(21)20-14-3-1-2-11(8-14)15-9-18-10-22-15/h1-10H,(H2,19,20,21)
InChIKeyZVKBKYHKEYIQNE-UHFFFAOYSA-N
MW297.29 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea

1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 11551112) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID11551112
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H12FN3O2/c17-12-4-6-13(7-5-12)19-16(21)20-14-3-1-2-11(8-14)15-9-18-10-22-15/h1-10H,(H2,19,20,21)
InChIKeyZVKBKYHKEYIQNE-UHFFFAOYSA-N
XLogP4.12
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea (CID 11551112) is 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is ZVKBKYHKEYIQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-12-4-6-13(7-5-12)19-16(21)20-14-3-1-2-11(8-14)15-9-18-10-22-15/h1-10H,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 297.29 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 11551112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).