1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one

C20H17F3N4O3 — CID 162511053

IUPAC1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccnc1-c1cc(F)cc(-c2nnc(C(F)F)o2)c1
InChIInChI=1S/C20H17F3N4O3/c21-14-10-12(9-13(11-14)19-25-26-20(30-19)18(22)23)17-15(3-1-5-24-17)29-8-7-27-6-2-4-16(27)28/h1,3,5,9-11,18H,2,4,6-8H2
InChIKeyBEEHTJNFNZDMAB-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.88
Rot. Bonds7

About 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one

1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 162511053) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one
PubChem CID162511053
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccnc1-c1cc(F)cc(-c2nnc(C(F)F)o2)c1
InChIInChI=1S/C20H17F3N4O3/c21-14-10-12(9-13(11-14)19-25-26-20(30-19)18(22)23)17-15(3-1-5-24-17)29-8-7-27-6-2-4-16(27)28/h1,3,5,9-11,18H,2,4,6-8H2
InChIKeyBEEHTJNFNZDMAB-UHFFFAOYSA-N
XLogP3.88
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole
CID 162511092
1-[2-(6-pyridin-2-ylpyridazin-3-yl)oxyethyl]pyrrolidin-2-one
CID 130251387
1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one
CID 176701954
2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 162510988
1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
CID 174401992
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 66515853
1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one
CID 141398677
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
4-[2-(4-fluorophenoxy)ethyl]-1,4-oxazepan-5-one
CID 72940136

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one (CID 162511053) is 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cccnc1-c1cc(F)cc(-c2nnc(C(F)F)o2)c1.
What is the InChIKey of 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is BEEHTJNFNZDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-14-10-12(9-13(11-14)19-25-26-20(30-19)18(22)23)17-15(3-1-5-24-17)29-8-7-27-6-2-4-16(27)28/h1,3,5,9-11,18H,2,4,6-8H2.
What are the key properties of 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 418.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 162511053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).