N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide

C26H24F4N4O3 — CID 71290343

IUPACN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide
SMILESCN(C)CCC(CNC(=O)c1cccc(-c2cc(C(F)(F)F)on2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H24F4N4O3/c1-34(2)11-10-19(22-15-36-25(32-22)16-6-8-20(27)9-7-16)14-31-24(35)18-5-3-4-17(12-18)21-13-23(37-33-21)26(28,29)30/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,31,35)
InChIKeyLKNGGAUDYNWQQE-UHFFFAOYSA-N
MW516.50 g/mol
LogP5.62
Rot. Bonds9

About N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide

N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide (PubChem CID 71290343) has the molecular formula C26H24F4N4O3 and a molecular weight of 516.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide
PubChem CID71290343
Molecular FormulaC26H24F4N4O3
Molecular Weight516.50 g/mol
Exact Mass516.18
IUPAC NameN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide
SMILESCN(C)CCC(CNC(=O)c1cccc(-c2cc(C(F)(F)F)on2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H24F4N4O3/c1-34(2)11-10-19(22-15-36-25(32-22)16-6-8-20(27)9-7-16)14-31-24(35)18-5-3-4-17(12-18)21-13-23(37-33-21)26(28,29)30/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,31,35)
InChIKeyLKNGGAUDYNWQQE-UHFFFAOYSA-N
XLogP5.62
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
The IUPAC name of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide (CID 71290343) is N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide is CN(C)CCC(CNC(=O)c1cccc(-c2cc(C(F)(F)F)on2)c1)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
The InChIKey is LKNGGAUDYNWQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O3/c1-34(2)11-10-19(22-15-36-25(32-22)16-6-8-20(27)9-7-16)14-31-24(35)18-5-3-4-17(12-18)21-13-23(37-33-21)26(28,29)30/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,31,35).
What are the key properties of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide has a molecular weight of 516.50 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 71290343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).