2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole

C19H16F3N3O3 — CID 162511092

IUPAC2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole
SMILESCC1(COc2cccnc2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)COC1
InChIInChI=1S/C19H16F3N3O3/c1-19(8-26-9-19)10-27-14-3-2-4-23-15(14)11-5-12(7-13(20)6-11)17-24-25-18(28-17)16(21)22/h2-7,16H,8-10H2,1H3
InChIKeyDZUNPLJUEATBNS-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.29
Rot. Bonds6

About 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162511092) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole
PubChem CID162511092
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole
SMILESCC1(COc2cccnc2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)COC1
InChIInChI=1S/C19H16F3N3O3/c1-19(8-26-9-19)10-27-14-3-2-4-23-15(14)11-5-12(7-13(20)6-11)17-24-25-18(28-17)16(21)22/h2-7,16H,8-10H2,1H3
InChIKeyDZUNPLJUEATBNS-UHFFFAOYSA-N
XLogP4.29
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 162511053
2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 162510988
2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide
CID 162511085
2-(difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290300
2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 162518629
2-(difluoromethyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
CID 150327556
2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole
CID 162518671
2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
2-(4-bromo-3-methoxyphenyl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 170557754

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole (CID 162511092) is 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole is CC1(COc2cccnc2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)COC1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is DZUNPLJUEATBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-19(8-26-9-19)10-27-14-3-2-4-23-15(14)11-5-12(7-13(20)6-11)17-24-25-18(28-17)16(21)22/h2-7,16H,8-10H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 391.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162511092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).