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

C14H9F3N4O2 — CID 169235773

IUPAC2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cncc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C14H9F3N4O2/c15-9-3-11(6-18-5-9)22-7-10-2-1-8(4-19-10)13-20-21-14(23-13)12(16)17/h1-6,12H,7H2
InChIKeyFGLCQVQHNYSJLS-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.18
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169235773) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169235773
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cncc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C14H9F3N4O2/c15-9-3-11(6-18-5-9)22-7-10-2-1-8(4-19-10)13-20-21-14(23-13)12(16)17/h1-6,12H,7H2
InChIKeyFGLCQVQHNYSJLS-UHFFFAOYSA-N
XLogP3.18
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-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
US11072585, Example 47
CID 122536287
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-(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-[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
2-[6-[(6-Cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290137

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169235773) is 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Fc1cncc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is FGLCQVQHNYSJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-9-3-11(6-18-5-9)22-7-10-2-1-8(4-19-10)13-20-21-14(23-13)12(16)17/h1-6,12H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 322.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169235773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).