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

C24H26F3N3O3 — CID 58182800

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(C2=NOC(C)(c3cc(C)cc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H26F3N3O3/c1-5-28-21(31)15(3)29-22(32)17-8-6-16(7-9-17)20-13-23(4,33-30-20)18-10-14(2)11-19(12-18)24(25,26)27/h6-12,15H,5,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyARRVBAXWRYTNEZ-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.31
Rot. Bonds6

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

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (PubChem CID 58182800) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
PubChem CID58182800
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(C2=NOC(C)(c3cc(C)cc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H26F3N3O3/c1-5-28-21(31)15(3)29-22(32)17-8-6-16(7-9-17)20-13-23(4,33-30-20)18-10-14(2)11-19(12-18)24(25,26)27/h6-12,15H,5,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyARRVBAXWRYTNEZ-UHFFFAOYSA-N
XLogP4.31
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (CID 58182800) is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is CCNC(=O)C(C)NC(=O)c1ccc(C2=NOC(C)(c3cc(C)cc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The InChIKey is ARRVBAXWRYTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-5-28-21(31)15(3)29-22(32)17-8-6-16(7-9-17)20-13-23(4,33-30-20)18-10-14(2)11-19(12-18)24(25,26)27/h6-12,15H,5,13H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide has a molecular weight of 461.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[5-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 58182800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).