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

C23H17ClF4N4O3 — CID 71244913

IUPAC2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)(CNC(=O)c1cc(-c2noc(C(F)(F)F)n2)ccc1Cl)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H17ClF4N4O3/c1-22(2,17-10-34-20(30-17)12-3-6-14(25)7-4-12)11-29-19(33)15-9-13(5-8-16(15)24)18-31-21(35-32-18)23(26,27)28/h3-10H,11H2,1-2H3,(H,29,33)
InChIKeyORWHAZBWWMCCMD-UHFFFAOYSA-N
MW508.86 g/mol
LogP5.91
Rot. Bonds6

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

2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71244913) has the molecular formula C23H17ClF4N4O3 and a molecular weight of 508.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71244913
Molecular FormulaC23H17ClF4N4O3
Molecular Weight508.86 g/mol
Exact Mass508.09
IUPAC Name2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)(CNC(=O)c1cc(-c2noc(C(F)(F)F)n2)ccc1Cl)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H17ClF4N4O3/c1-22(2,17-10-34-20(30-17)12-3-6-14(25)7-4-12)11-29-19(33)15-9-13(5-8-16(15)24)18-31-21(35-32-18)23(26,27)28/h3-10H,11H2,1-2H3,(H,29,33)
InChIKeyORWHAZBWWMCCMD-UHFFFAOYSA-N
XLogP5.91
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.86
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71244913) is 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(C)(CNC(=O)c1cc(-c2noc(C(F)(F)F)n2)ccc1Cl)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is ORWHAZBWWMCCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF4N4O3/c1-22(2,17-10-34-20(30-17)12-3-6-14(25)7-4-12)11-29-19(33)15-9-13(5-8-16(15)24)18-31-21(35-32-18)23(26,27)28/h3-10H,11H2,1-2H3,(H,29,33).
What are the key properties of 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 508.86 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71244913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).