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

C22H24FN3O2 — CID 8810126

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H24FN3O2/c1-3-12-26(14-21(27)25-19-7-5-4-6-16(19)2)15-22-24-13-20(28-22)17-8-10-18(23)11-9-17/h4-11,13H,3,12,14-15H2,1-2H3,(H,25,27)
InChIKeyVAPCEIFMMAKNOE-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.64
Rot. Bonds8

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

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 8810126) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID8810126
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H24FN3O2/c1-3-12-26(14-21(27)25-19-7-5-4-6-16(19)2)15-22-24-13-20(28-22)17-8-10-18(23)11-9-17/h4-11,13H,3,12,14-15H2,1-2H3,(H,25,27)
InChIKeyVAPCEIFMMAKNOE-UHFFFAOYSA-N
XLogP4.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide (CID 8810126) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is VAPCEIFMMAKNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-3-12-26(14-21(27)25-19-7-5-4-6-16(19)2)15-22-24-13-20(28-22)17-8-10-18(23)11-9-17/h4-11,13H,3,12,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 381.45 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8810126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).