2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide

C20H20FN3O2 — CID 55544759

IUPAC2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O2/c1-14-3-9-17(10-4-14)22-19(25)12-24(2)11-18-13-26-20(23-18)15-5-7-16(21)8-6-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyKPFDWUDPICVLIY-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.86
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 55544759) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID55544759
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O2/c1-14-3-9-17(10-4-14)22-19(25)12-24(2)11-18-13-26-20(23-18)15-5-7-16(21)8-6-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyKPFDWUDPICVLIY-UHFFFAOYSA-N
XLogP3.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915159
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915157
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide
CID 87015036
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252968
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 120750434
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276
2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 68506647
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 55544759) is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2coc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is KPFDWUDPICVLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14-3-9-17(10-4-14)22-19(25)12-24(2)11-18-13-26-20(23-18)15-5-7-16(21)8-6-15/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 55544759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).