1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea

C17H15FN4O2 — CID 6459544

IUPAC1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCc1cccc(-c2noc(CNC(=O)Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H15FN4O2/c1-11-3-2-4-12(9-11)16-21-15(24-22-16)10-19-17(23)20-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H2,19,20,23)
InChIKeyBGDQMNPLVQEEOY-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea

1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 6459544) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID6459544
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCc1cccc(-c2noc(CNC(=O)Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H15FN4O2/c1-11-3-2-4-12(9-11)16-21-15(24-22-16)10-19-17(23)20-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H2,19,20,23)
InChIKeyBGDQMNPLVQEEOY-UHFFFAOYSA-N
XLogP3.51
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CID 6459544) is 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is Cc1cccc(-c2noc(CNC(=O)Nc3ccc(F)cc3)n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is BGDQMNPLVQEEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-3-2-4-12(9-11)16-21-15(24-22-16)10-19-17(23)20-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H2,19,20,23).
What are the key properties of 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 326.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 6459544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).