N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C23H18ClF3N4O3 — CID 67324866

IUPACN-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClF3N4O3/c1-22(2,17-11-33-20(29-17)13-6-8-16(24)9-7-13)12-28-19(32)15-5-3-4-14(10-15)18-30-21(34-31-18)23(25,26)27/h3-11H,12H2,1-2H3,(H,28,32)
InChIKeyGAUWIXTYPAGXLI-UHFFFAOYSA-N
MW490.87 g/mol
LogP5.77
Rot. Bonds6

About N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 67324866) has the molecular formula C23H18ClF3N4O3 and a molecular weight of 490.87 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID67324866
Molecular FormulaC23H18ClF3N4O3
Molecular Weight490.87 g/mol
Exact Mass490.10
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClF3N4O3/c1-22(2,17-11-33-20(29-17)13-6-8-16(24)9-7-13)12-28-19(32)15-5-3-4-14(10-15)18-30-21(34-31-18)23(25,26)27/h3-11H,12H2,1-2H3,(H,28,32)
InChIKeyGAUWIXTYPAGXLI-UHFFFAOYSA-N
XLogP5.77
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.87
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 67324866) is N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is GAUWIXTYPAGXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O3/c1-22(2,17-11-33-20(29-17)13-6-8-16(24)9-7-13)12-28-19(32)15-5-3-4-14(10-15)18-30-21(34-31-18)23(25,26)27/h3-11H,12H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 490.87 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 67324866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).