N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C23H19F3N4O3 — CID 164881626

IUPACN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C23H19F3N4O3/c1-22(2,17-12-32-20(28-17)16-6-4-3-5-7-16)13-27-19(31)15-10-8-14(9-11-15)18-29-21(33-30-18)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31)
InChIKeyRCBGVHVPEXGPHP-UHFFFAOYSA-N
MW456.42 g/mol
LogP5.12
Rot. Bonds6

About N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 164881626) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID164881626
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C23H19F3N4O3/c1-22(2,17-12-32-20(28-17)16-6-4-3-5-7-16)13-27-19(31)15-10-8-14(9-11-15)18-29-21(33-30-18)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31)
InChIKeyRCBGVHVPEXGPHP-UHFFFAOYSA-N
XLogP5.12
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 164881626) is N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(C)(CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is RCBGVHVPEXGPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-22(2,17-12-32-20(28-17)16-6-4-3-5-7-16)13-27-19(31)15-10-8-14(9-11-15)18-29-21(33-30-18)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31).
What are the key properties of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 456.42 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 164881626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).