2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C13H11F2N5O2 — CID 169290154

IUPAC2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1nccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C13H11F2N5O2/c1-20-10(4-5-17-20)21-7-9-3-2-8(6-16-9)12-18-19-13(22-12)11(14)15/h2-6,11H,7H2,1H3
InChIKeyTVOWFBKKPMOSOI-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.38
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290154) has the molecular formula C13H11F2N5O2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290154
Molecular FormulaC13H11F2N5O2
Molecular Weight307.26 g/mol
Exact Mass307.09
IUPAC Name2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1nccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C13H11F2N5O2/c1-20-10(4-5-17-20)21-7-9-3-2-8(6-16-9)12-18-19-13(22-12)11(14)15/h2-6,11H,7H2,1H3
InChIKeyTVOWFBKKPMOSOI-UHFFFAOYSA-N
XLogP2.38
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 170284045
2-(1-fluoroethyl)-5-[6-(pyrazin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 170284072
2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162767597
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364
2-[6-(1-adamantyloxymethyl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290345
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(2-methylpyrazol-3-yl)benzimidazol-2-one
CID 155729705
2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284084
2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284073

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290154) is 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cn1nccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is TVOWFBKKPMOSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2/c1-20-10(4-5-17-20)21-7-9-3-2-8(6-16-9)12-18-19-13(22-12)11(14)15/h2-6,11H,7H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 307.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).