2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole

C17H11F2N3O2 — CID 169290127

IUPAC2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESC#Cc1ccccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C17H11F2N3O2/c1-2-11-5-3-4-6-14(11)23-10-13-8-7-12(9-20-13)16-21-22-17(24-16)15(18)19/h1,3-9,15H,10H2
InChIKeyISXREIHYFWIYGM-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.63
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290127) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290127
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESC#Cc1ccccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C17H11F2N3O2/c1-2-11-5-3-4-6-14(11)23-10-13-8-7-12(9-20-13)16-21-22-17(24-16)15(18)19/h1,3-9,15H,10H2
InChIKeyISXREIHYFWIYGM-UHFFFAOYSA-N
XLogP3.63
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-nicotinic acid [1-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-meth-(Z)-ylidene]-hydrazide
CID 6862833
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-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290135
2-[6-[(6-Cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290137
2-(Difluoromethyl)-5-[6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290143

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290127) is 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole is C#Cc1ccccc1OCc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is ISXREIHYFWIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c1-2-11-5-3-4-6-14(11)23-10-13-8-7-12(9-20-13)16-21-22-17(24-16)15(18)19/h1,3-9,15H,10H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 327.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).