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

C10H7ClFN3O2 — CID 6465329

IUPAC1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccon1
InChIInChI=1S/C10H7ClFN3O2/c11-7-5-6(1-2-8(7)12)13-10(16)14-9-3-4-17-15-9/h1-5H,(H2,13,14,15,16)
InChIKeyTZFOSMGRMYLSSA-UHFFFAOYSA-N
MW255.64 g/mol
LogP3.11
Rot. Bonds2

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

1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 6465329) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID6465329
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccon1
InChIInChI=1S/C10H7ClFN3O2/c11-7-5-6(1-2-8(7)12)13-10(16)14-9-3-4-17-15-9/h1-5H,(H2,13,14,15,16)
InChIKeyTZFOSMGRMYLSSA-UHFFFAOYSA-N
XLogP3.11
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811787
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea
CID 108811814

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea (CID 6465329) is 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1ccon1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is TZFOSMGRMYLSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c11-7-5-6(1-2-8(7)12)13-10(16)14-9-3-4-17-15-9/h1-5H,(H2,13,14,15,16).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea?
1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 255.64 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 6465329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).