4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

C14H14F2N4O3 — CID 156525912

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1ccc(-c2nnc(C(F)F)o2)cc1=O)N1CCCC1
InChIInChI=1S/C14H14F2N4O3/c15-12(16)14-18-17-13(23-14)9-3-6-20(10(21)7-9)8-11(22)19-4-1-2-5-19/h3,6-7,12H,1-2,4-5,8H2
InChIKeyCPZBTZPWFYOOON-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.46
Rot. Bonds4

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (PubChem CID 156525912) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
PubChem CID156525912
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1ccc(-c2nnc(C(F)F)o2)cc1=O)N1CCCC1
InChIInChI=1S/C14H14F2N4O3/c15-12(16)14-18-17-13(23-14)9-3-6-20(10(21)7-9)8-11(22)19-4-1-2-5-19/h3,6-7,12H,1-2,4-5,8H2
InChIKeyCPZBTZPWFYOOON-UHFFFAOYSA-N
XLogP1.46
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(oxolan-2-ylmethyl)pyridin-2-one
CID 167346845
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-methylpyridin-2-one
CID 146309641
2-bromo-1-phenylethanone;4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-phenacylpyridin-2-one;4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 157329629
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
CID 156525703
1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
CID 156525919
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one
CID 146309700
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
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-(3-pyridin-3-ylpropyl)pyridin-2-one
CID 156525722

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (CID 156525912) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is O=C(Cn1ccc(-c2nnc(C(F)F)o2)cc1=O)N1CCCC1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The InChIKey is CPZBTZPWFYOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c15-12(16)14-18-17-13(23-14)9-3-6-20(10(21)7-9)8-11(22)19-4-1-2-5-19/h3,6-7,12H,1-2,4-5,8H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one has a molecular weight of 324.29 g/mol, XLogP of 1.46, 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-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 156525912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).