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

C18H17FN4O2 — CID 6461872

IUPAC3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCc1ccc(-c2noc(CN(C)C(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-12-3-5-13(6-4-12)17-21-16(25-22-17)11-23(2)18(24)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYSUCLTPKNGAOLI-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.85
Rot. Bonds4

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

3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 6461872) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID6461872
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCc1ccc(-c2noc(CN(C)C(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-12-3-5-13(6-4-12)17-21-16(25-22-17)11-23(2)18(24)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYSUCLTPKNGAOLI-UHFFFAOYSA-N
XLogP3.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CID 6461872) is 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is Cc1ccc(-c2noc(CN(C)C(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is YSUCLTPKNGAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-3-5-13(6-4-12)17-21-16(25-22-17)11-23(2)18(24)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 340.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 6461872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).