1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea

C10H8FN3O2 — CID 6470703

IUPAC1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccon1
InChIInChI=1S/C10H8FN3O2/c11-7-1-3-8(4-2-7)12-10(15)13-9-5-6-16-14-9/h1-6H,(H2,12,13,14,15)
InChIKeySLJSXXBASIKZOL-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.46
Rot. Bonds2

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

1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 6470703) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID6470703
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccon1
InChIInChI=1S/C10H8FN3O2/c11-7-1-3-8(4-2-7)12-10(15)13-9-5-6-16-14-9/h1-6H,(H2,12,13,14,15)
InChIKeySLJSXXBASIKZOL-UHFFFAOYSA-N
XLogP2.46
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.46
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-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea (CID 6470703) is 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea is O=C(Nc1ccc(F)cc1)Nc1ccon1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is SLJSXXBASIKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-1-3-8(4-2-7)12-10(15)13-9-5-6-16-14-9/h1-6H,(H2,12,13,14,15).
What are the key properties of 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea?
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 221.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 6470703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).