4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one

C14H9F3N4O2 — CID 156525703

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1Cc1ccc(F)cn1
InChIInChI=1S/C14H9F3N4O2/c15-9-1-2-10(18-6-9)7-21-4-3-8(5-11(21)22)13-19-20-14(23-13)12(16)17/h1-6,12H,7H2
InChIKeyITYDCMDLZGGAOJ-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.42
Rot. Bonds4

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one (PubChem CID 156525703) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
PubChem CID156525703
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1Cc1ccc(F)cn1
InChIInChI=1S/C14H9F3N4O2/c15-9-1-2-10(18-6-9)7-21-4-3-8(5-11(21)22)13-19-20-14(23-13)12(16)17/h1-6,12H,7H2
InChIKeyITYDCMDLZGGAOJ-UHFFFAOYSA-N
XLogP2.42
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 156525472
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[4-(trifluoromethoxy)-2-pyridinyl]methyl]pyridin-2-one
CID 156525799
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one
CID 146309700
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 167346830
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 167346845
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 146309641
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one
CID 156525731
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 156525912
2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162767597
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one
CID 156525722
2-(difluoromethyl)-5-[6-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443587
benzyl 2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-oxo-1-pyridinyl]acetate
CID 146309670

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one (CID 156525703) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1Cc1ccc(F)cn1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one?
The InChIKey is ITYDCMDLZGGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-9-1-2-10(18-6-9)7-21-4-3-8(5-11(21)22)13-19-20-14(23-13)12(16)17/h1-6,12H,7H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one has a molecular weight of 322.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 156525703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).