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

C16H15FN4O2 — CID 170284073

IUPAC2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccc(OCc2ccc(-c3nnc(C(C)F)o3)cn2)cn1
InChIInChI=1S/C16H15FN4O2/c1-10-3-6-14(8-18-10)22-9-13-5-4-12(7-19-13)16-21-20-15(23-16)11(2)17/h3-8,11H,9H2,1-2H3
InChIKeySEXBODAWZANVGA-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.44
Rot. Bonds5

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

2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 170284073) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID170284073
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccc(OCc2ccc(-c3nnc(C(C)F)o3)cn2)cn1
InChIInChI=1S/C16H15FN4O2/c1-10-3-6-14(8-18-10)22-9-13-5-4-12(7-19-13)16-21-20-15(23-16)11(2)17/h3-8,11H,9H2,1-2H3
InChIKeySEXBODAWZANVGA-UHFFFAOYSA-N
XLogP3.44
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929
2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284084
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-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
CID 170284032
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-[[5-[2-(3-methylphenyl)ethynyl]-3-pyridinyl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 178145906
5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
CID 166644722
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 170284073) is 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1ccc(OCc2ccc(-c3nnc(C(C)F)o3)cn2)cn1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is SEXBODAWZANVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-10-3-6-14(8-18-10)22-9-13-5-4-12(7-19-13)16-21-20-15(23-16)11(2)17/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 314.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170284073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).