N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C23H17F3N4O2 — CID 90563058

IUPACN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)18-7-5-15(6-8-18)13-20(31)28-19-4-2-1-3-17(19)14-21-29-22(30-32-21)16-9-11-27-12-10-16/h1-12H,13-14H2,(H,28,31)
InChIKeyAGPUTYWSGHNPRL-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.92
Rot. Bonds6

About N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90563058) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90563058
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC NameN-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)18-7-5-15(6-8-18)13-20(31)28-19-4-2-1-3-17(19)14-21-29-22(30-32-21)16-9-11-27-12-10-16/h1-12H,13-14H2,(H,28,31)
InChIKeyAGPUTYWSGHNPRL-UHFFFAOYSA-N
XLogP4.92
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 121129867
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-(trifluoromethyl)benzamide
CID 90563328
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 90562478
2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563356
1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563093

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 90563058) is N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1.
What is the InChIKey of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AGPUTYWSGHNPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)18-7-5-15(6-8-18)13-20(31)28-19-4-2-1-3-17(19)14-21-29-22(30-32-21)16-9-11-27-12-10-16/h1-12H,13-14H2,(H,28,31).
What are the key properties of N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 438.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90563058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).