2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

C22H24F3N3O2 — CID 89014124

IUPAC2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(CCc1ccc(C(F)(F)F)cc1)C1=NOCC1)c1ccccc1
InChIInChI=1S/C22H24F3N3O2/c1-26-21(29)20(16-5-3-2-4-6-16)27-18(19-13-14-30-28-19)12-9-15-7-10-17(11-8-15)22(23,24)25/h2-8,10-11,18,20,27H,9,12-14H2,1H3,(H,26,29)
InChIKeyVPHITNJSMJQZBT-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.86
Rot. Bonds8

About 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 89014124) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID89014124
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(CCc1ccc(C(F)(F)F)cc1)C1=NOCC1)c1ccccc1
InChIInChI=1S/C22H24F3N3O2/c1-26-21(29)20(16-5-3-2-4-6-16)27-18(19-13-14-30-28-19)12-9-15-7-10-17(11-8-15)22(23,24)25/h2-8,10-11,18,20,27H,9,12-14H2,1H3,(H,26,29)
InChIKeyVPHITNJSMJQZBT-UHFFFAOYSA-N
XLogP3.86
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 89014124) is 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(NC(CCc1ccc(C(F)(F)F)cc1)C1=NOCC1)c1ccccc1.
What is the InChIKey of 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is VPHITNJSMJQZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-26-21(29)20(16-5-3-2-4-6-16)27-18(19-13-14-30-28-19)12-9-15-7-10-17(11-8-15)22(23,24)25/h2-8,10-11,18,20,27H,9,12-14H2,1H3,(H,26,29).
What are the key properties of 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 419.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,5-dihydro-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 89014124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).