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

C16H12ClF2N3O2 — CID 170284032

IUPAC2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
SMILESCC(F)c1nnc(-c2ccc(COc3ccc(F)cc3Cl)nc2)o1
InChIInChI=1S/C16H12ClF2N3O2/c1-9(18)15-21-22-16(24-15)10-2-4-12(20-7-10)8-23-14-5-3-11(19)6-13(14)17/h2-7,9H,8H2,1H3
InChIKeyMBXLQZCDVDCRGG-UHFFFAOYSA-N
MW351.74 g/mol
LogP4.53
Rot. Bonds5

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

2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole (PubChem CID 170284032) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
PubChem CID170284032
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC Name2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
SMILESCC(F)c1nnc(-c2ccc(COc3ccc(F)cc3Cl)nc2)o1
InChIInChI=1S/C16H12ClF2N3O2/c1-9(18)15-21-22-16(24-15)10-2-4-12(20-7-10)8-23-14-5-3-11(19)6-13(14)17/h2-7,9H,8H2,1H3
InChIKeyMBXLQZCDVDCRGG-UHFFFAOYSA-N
XLogP4.53
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284073
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681818

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole (CID 170284032) is 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole is CC(F)c1nnc(-c2ccc(COc3ccc(F)cc3Cl)nc2)o1.
What is the InChIKey of 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole?
The InChIKey is MBXLQZCDVDCRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c1-9(18)15-21-22-16(24-15)10-2-4-12(20-7-10)8-23-14-5-3-11(19)6-13(14)17/h2-7,9H,8H2,1H3.
What are the key properties of 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole?
2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole has a molecular weight of 351.74 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 170284032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).