N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide

C23H24F3N3O3 — CID 58182758

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(C2=NOC(C)(c3cc(C)cc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C23H24F3N3O3/c1-4-27-20(30)13-28-21(31)16-7-5-15(6-8-16)19-12-22(3,32-29-19)17-9-14(2)10-18(11-17)23(24,25)26/h5-11H,4,12-13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyKANVAJGHTFYKCG-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide

N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (PubChem CID 58182758) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
PubChem CID58182758
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(C2=NOC(C)(c3cc(C)cc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C23H24F3N3O3/c1-4-27-20(30)13-28-21(31)16-7-5-15(6-8-16)19-12-22(3,32-29-19)17-9-14(2)10-18(11-17)23(24,25)26/h5-11H,4,12-13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyKANVAJGHTFYKCG-UHFFFAOYSA-N
XLogP3.92
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (CID 58182758) is N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is CCNC(=O)CNC(=O)c1ccc(C2=NOC(C)(c3cc(C)cc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The InChIKey is KANVAJGHTFYKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-4-27-20(30)13-28-21(31)16-7-5-15(6-8-16)19-12-22(3,32-29-19)17-9-14(2)10-18(11-17)23(24,25)26/h5-11H,4,12-13H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 58182758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).