3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide

C19H14F2N6O2 — CID 162722742

IUPAC3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)c1
InChIInChI=1S/C19H14F2N6O2/c20-16(21)19-26-25-18(29-19)13-4-5-15(23-7-13)10-27-9-14(8-24-27)11-2-1-3-12(6-11)17(22)28/h1-9,16H,10H2,(H2,22,28)
InChIKeyBCYRIUWPZACMSR-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.08
Rot. Bonds6

About 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide

3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide (PubChem CID 162722742) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide
PubChem CID162722742
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC Name3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)c1
InChIInChI=1S/C19H14F2N6O2/c20-16(21)19-26-25-18(29-19)13-4-5-15(23-7-13)10-27-9-14(8-24-27)11-2-1-3-12(6-11)17(22)28/h1-9,16H,10H2,(H2,22,28)
InChIKeyBCYRIUWPZACMSR-UHFFFAOYSA-N
XLogP3.08
TPSA112.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]benzamide
CID 145961199
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
(3R)-5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162721904
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one
CID 162721921
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162721964
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162721983
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine
CID 162722002
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one
CID 162722042
5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722116
2-(Difluoromethyl)-5-[4-[[4-(6-fluoro-2-methyl-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722232
(5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)methanamine
CID 162722245

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide (CID 162722742) is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide is NC(=O)c1cccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)c1.
What is the InChIKey of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide?
The InChIKey is BCYRIUWPZACMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c20-16(21)19-26-25-18(29-19)13-4-5-15(23-7-13)10-27-9-14(8-24-27)11-2-1-3-12(6-11)17(22)28/h1-9,16H,10H2,(H2,22,28).
What are the key properties of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide?
3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide has a molecular weight of 396.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 162722742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).