1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one

C15H15F2N3O2 — CID 156525919

IUPAC1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1C1C2CCC1CC2
InChIInChI=1S/C15H15F2N3O2/c16-13(17)15-19-18-14(22-15)10-5-6-20(11(21)7-10)12-8-1-2-9(12)4-3-8/h5-9,12-13H,1-4H2
InChIKeyVKFSONCADDABNK-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.20
Rot. Bonds3

About 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one

1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one (PubChem CID 156525919) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
PubChem CID156525919
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1C1C2CCC1CC2
InChIInChI=1S/C15H15F2N3O2/c16-13(17)15-19-18-14(22-15)10-5-6-20(11(21)7-10)12-8-1-2-9(12)4-3-8/h5-9,12-13H,1-4H2
InChIKeyVKFSONCADDABNK-UHFFFAOYSA-N
XLogP3.20
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one with MolForge

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Related Compounds

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-(oxolan-2-ylmethyl)pyridin-2-one
CID 167346845
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 156525912
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-(3-methoxypropyl)pyridin-2-one
CID 167346830
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
CID 156525703
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 146309676
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-pyridin-3-ylpropyl)pyridin-2-one
CID 156525722
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one
CID 156525731
benzyl 2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-oxo-1-pyridinyl]acetate
CID 146309670
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[4-(trifluoromethoxy)-2-pyridinyl]methyl]pyridin-2-one
CID 156525799

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
The IUPAC name of 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one (CID 156525919) is 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1C1C2CCC1CC2.
What is the InChIKey of 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
The InChIKey is VKFSONCADDABNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-13(17)15-19-18-14(22-15)10-5-6-20(11(21)7-10)12-8-1-2-9(12)4-3-8/h5-9,12-13H,1-4H2.
What are the key properties of 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one?
1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one has a molecular weight of 307.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 156525919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).