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

C10H8FN3O2 — CID 108814003

IUPAC1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccno1
InChIInChI=1S/C10H8FN3O2/c11-7-1-3-8(4-2-7)13-10(15)14-9-5-6-12-16-9/h1-6H,(H2,13,14,15)
InChIKeyQIRCWGGVDNBJOM-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.46
Rot. Bonds2

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

1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814003) 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-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108814003
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccno1
InChIInChI=1S/C10H8FN3O2/c11-7-1-3-8(4-2-7)13-10(15)14-9-5-6-12-16-9/h1-6H,(H2,13,14,15)
InChIKeyQIRCWGGVDNBJOM-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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Related Compounds

1-(4-Fluorophenyl)-3-(5-methylisoxazol-3-YL)urea
CID 99331
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-(3-Fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 788260
1-(4-Chlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 2744686
N-(2-Fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
CID 16382617
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-(1,2-Oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108814216
1-Cyclopentyl-3-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
CID 150733210
1-(4-Fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
CID 162459044

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea (CID 108814003) is 1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccc(F)cc1)Nc1ccno1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is QIRCWGGVDNBJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-1-3-8(4-2-7)13-10(15)14-9-5-6-12-16-9/h1-6H,(H2,13,14,15).
What are the key properties of 1-(4-fluorophenyl)-3-(1,2-oxazol-5-yl)urea?
1-(4-fluorophenyl)-3-(1,2-oxazol-5-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-5-yl)urea is sourced from PubChem (CID 108814003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).