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

C22H18F3N5O3 — CID 71212765

IUPACN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C22H18F3N5O3/c1-21(2,16-11-32-19(28-16)13-6-4-3-5-7-13)12-27-18(31)15-8-14(9-26-10-15)17-29-20(33-30-17)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,31)
InChIKeyUMZASEKBAUOOAJ-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.51
Rot. Bonds6

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

N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 71212765) has the molecular formula C22H18F3N5O3 and a molecular weight of 457.41 g/mol. Its IUPAC name is N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID71212765
Molecular FormulaC22H18F3N5O3
Molecular Weight457.41 g/mol
Exact Mass457.14
IUPAC NameN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C22H18F3N5O3/c1-21(2,16-11-32-19(28-16)13-6-4-3-5-7-13)12-27-18(31)15-8-14(9-26-10-15)17-29-20(33-30-17)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,31)
InChIKeyUMZASEKBAUOOAJ-UHFFFAOYSA-N
XLogP4.51
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 71212765) is N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is CC(C)(CNC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is UMZASEKBAUOOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3/c1-21(2,16-11-32-19(28-16)13-6-4-3-5-7-13)12-27-18(31)15-8-14(9-26-10-15)17-29-20(33-30-17)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,31).
What are the key properties of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 457.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71212765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).