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

C11H10FN3O2 — CID 788260

IUPAC1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C11H10FN3O2/c1-7-5-10(15-17-7)14-11(16)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySOJVYPMERXDAED-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.77
Rot. Bonds2

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

1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 788260) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID788260
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C11H10FN3O2/c1-7-5-10(15-17-7)14-11(16)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySOJVYPMERXDAED-UHFFFAOYSA-N
XLogP2.77
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.77
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-(4-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383719
ST50939513
CID 2813558
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-3-isoxazolyl)urea
CID 971773
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)urea
CID 728587
1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 975701
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)thiourea
CID 2730383
1-(4-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276893
1-(2-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276894
1-(3-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 24818583
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 707003
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
CID 6467399

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 788260) is 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2cccc(F)c2)no1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is SOJVYPMERXDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-5-10(15-17-7)14-11(16)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 235.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 788260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).