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

C21H13F3N4O2 — CID 90562645

IUPAC2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(F)c(F)c1F
InChIInChI=1S/C21H13F3N4O2/c22-15-8-7-14(18(23)19(15)24)21(29)26-16-6-2-1-4-12(16)10-17-27-20(28-30-17)13-5-3-9-25-11-13/h1-9,11H,10H2,(H,26,29)
InChIKeyNAOQLCADJNUGPX-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.39
Rot. Bonds5

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

2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 90562645) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
PubChem CID90562645
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(F)c(F)c1F
InChIInChI=1S/C21H13F3N4O2/c22-15-8-7-14(18(23)19(15)24)21(29)26-16-6-2-1-4-12(16)10-17-27-20(28-30-17)13-5-3-9-25-11-13/h1-9,11H,10H2,(H,26,29)
InChIKeyNAOQLCADJNUGPX-UHFFFAOYSA-N
XLogP4.39
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 90562478
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
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562554
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

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 90562645) is 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The InChIKey is NAOQLCADJNUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-15-8-7-14(18(23)19(15)24)21(29)26-16-6-2-1-4-12(16)10-17-27-20(28-30-17)13-5-3-9-25-11-13/h1-9,11H,10H2,(H,26,29).
What are the key properties of 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 410.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 90562645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).