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

C15H15F2N5O2 — CID 156525472

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCC(C)n1ccc(Cn2ccc(-c3nnc(C(F)F)o3)cc2=O)n1
InChIInChI=1S/C15H15F2N5O2/c1-9(2)22-6-4-11(20-22)8-21-5-3-10(7-12(21)23)14-18-19-15(24-14)13(16)17/h3-7,9,13H,8H2,1-2H3
InChIKeyKZEDBHXAJFWNFY-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.66
Rot. Bonds5

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

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one (PubChem CID 156525472) has the molecular formula C15H15F2N5O2 and a molecular weight of 335.31 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
PubChem CID156525472
Molecular FormulaC15H15F2N5O2
Molecular Weight335.31 g/mol
Exact Mass335.12
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCC(C)n1ccc(Cn2ccc(-c3nnc(C(F)F)o3)cc2=O)n1
InChIInChI=1S/C15H15F2N5O2/c1-9(2)22-6-4-11(20-22)8-21-5-3-10(7-12(21)23)14-18-19-15(24-14)13(16)17/h3-7,9,13H,8H2,1-2H3
InChIKeyKZEDBHXAJFWNFY-UHFFFAOYSA-N
XLogP2.66
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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]-1-[[4-(trifluoromethoxy)-2-pyridinyl]methyl]pyridin-2-one
CID 156525799
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-(3-methoxypropyl)pyridin-2-one
CID 167346830
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-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 156525912
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-(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
1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
CID 156525919
3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-6-phenylpyrimidin-4-one
CID 178112122

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one (CID 156525472) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one is CC(C)n1ccc(Cn2ccc(-c3nnc(C(F)F)o3)cc2=O)n1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one?
The InChIKey is KZEDBHXAJFWNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2/c1-9(2)22-6-4-11(20-22)8-21-5-3-10(7-12(21)23)14-18-19-15(24-14)13(16)17/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one has a molecular weight of 335.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 156525472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).