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

C15H12F2N4O2 — CID 169290135

IUPAC2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccnc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C15H12F2N4O2/c1-9-4-5-18-12(6-9)22-8-11-3-2-10(7-19-11)14-20-21-15(23-14)13(16)17/h2-7,13H,8H2,1H3
InChIKeyDAGIKWUEHHEUAN-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.35
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290135) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290135
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccnc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C15H12F2N4O2/c1-9-4-5-18-12(6-9)22-8-11-3-2-10(7-19-11)14-20-21-15(23-14)13(16)17/h2-7,13H,8H2,1H3
InChIKeyDAGIKWUEHHEUAN-UHFFFAOYSA-N
XLogP3.35
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethyl)-5-[6-[(4-methyl-2-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
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-[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-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290135) is 2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1ccnc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is DAGIKWUEHHEUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-9-4-5-18-12(6-9)22-8-11-3-2-10(7-19-11)14-20-21-15(23-14)13(16)17/h2-7,13H,8H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 318.28 g/mol, XLogP of 3.35, 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-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).