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

C22H15F3N4O2 — CID 90562478

IUPACN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)17-9-3-2-8-16(17)21(30)27-18-10-4-1-6-14(18)12-19-28-20(29-31-19)15-7-5-11-26-13-15/h1-11,13H,12H2,(H,27,30)
InChIKeyBFLDPAGJGDBGRO-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.99
Rot. Bonds5

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

N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 90562478) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID90562478
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC NameN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)17-9-3-2-8-16(17)21(30)27-18-10-4-1-6-14(18)12-19-28-20(29-31-19)15-7-5-11-26-13-15/h1-11,13H,12H2,(H,27,30)
InChIKeyBFLDPAGJGDBGRO-UHFFFAOYSA-N
XLogP4.99
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562645
2-nitro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562473
1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527
3-methoxy-1-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 71800518
5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 90562411
1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 71800507
1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562689
1-(3,5-dimethylphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562669
1-(2-ethoxyphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562672
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide
CID 90562611
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562554
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide
CID 86263821

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide (CID 90562478) is N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide is O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BFLDPAGJGDBGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c23-22(24,25)17-9-3-2-8-16(17)21(30)27-18-10-4-1-6-14(18)12-19-28-20(29-31-19)15-7-5-11-26-13-15/h1-11,13H,12H2,(H,27,30).
What are the key properties of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide?
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 424.38 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 90562478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).