N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide

C19H17F2N3O2 — CID 9041586

IUPACN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17F2N3O2/c1-24(11-18(25)23-16-4-2-3-15(21)9-16)12-19-22-10-17(26-19)13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyLRIAOKBRQMKNBB-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.69
Rot. Bonds6

About N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide

N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide (PubChem CID 9041586) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide
PubChem CID9041586
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17F2N3O2/c1-24(11-18(25)23-16-4-2-3-15(21)9-16)12-19-22-10-17(26-19)13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyLRIAOKBRQMKNBB-UHFFFAOYSA-N
XLogP3.69
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide (CID 9041586) is N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide is CN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide?
The InChIKey is LRIAOKBRQMKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-24(11-18(25)23-16-4-2-3-15(21)9-16)12-19-22-10-17(26-19)13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,23,25).
What are the key properties of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide?
N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide has a molecular weight of 357.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 9041586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).