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

C16H13F2N5O2 — CID 169290137

IUPAC2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccc(C4CC4)nn3)nc2)o1
InChIInChI=1S/C16H13F2N5O2/c17-14(18)16-23-22-15(25-16)10-3-4-11(19-7-10)8-24-13-6-5-12(20-21-13)9-1-2-9/h3-7,9,14H,1-2,8H2
InChIKeyXOJCXIUUORHDMF-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.32
Rot. Bonds6

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

2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 169290137) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID169290137
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccc(C4CC4)nn3)nc2)o1
InChIInChI=1S/C16H13F2N5O2/c17-14(18)16-23-22-15(25-16)10-3-4-11(19-7-10)8-24-13-6-5-12(20-21-13)9-1-2-9/h3-7,9,14H,1-2,8H2
InChIKeyXOJCXIUUORHDMF-UHFFFAOYSA-N
XLogP3.32
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 122179276
2-(Difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722816
2-(Difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235773
2-(Difluoromethyl)-5-[6-(pyridin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235825
2-(Difluoromethyl)-5-[6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235900
2-(Difluoromethyl)-5-[5-fluoro-6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235925
2-[6-[(5-Cyclopropyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290114
2-(Difluoromethyl)-5-[6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290116
2-(Difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290117
2-[2-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile
CID 169290122
2-(Difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290127
2-(Difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290135

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 169290137) is 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3ccc(C4CC4)nn3)nc2)o1.
What is the InChIKey of 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is XOJCXIUUORHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c17-14(18)16-23-22-15(25-16)10-3-4-11(19-7-10)8-24-13-6-5-12(20-21-13)9-1-2-9/h3-7,9,14H,1-2,8H2.
What are the key properties of 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 345.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 169290137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).