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

C8H5F2N3O2 — CID 146309676

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)cc[nH]1
InChIInChI=1S/C8H5F2N3O2/c9-6(10)8-13-12-7(15-8)4-1-2-11-5(14)3-4/h1-3,6H,(H,11,14)
InChIKeyWPKOWIBCFKXMOW-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.36
Rot. Bonds2

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

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 146309676) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID146309676
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)cc[nH]1
InChIInChI=1S/C8H5F2N3O2/c9-6(10)8-13-12-7(15-8)4-1-2-11-5(14)3-4/h1-3,6H,(H,11,14)
InChIKeyWPKOWIBCFKXMOW-UHFFFAOYSA-N
XLogP1.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[1-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 114039886
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 146309694
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-methylpyridin-2-one
CID 146309641
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
1-(7-bicyclo[2.2.1]heptanyl)-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
CID 156525919
4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 114039877
[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid
CID 166061915
2-(4-bromo-3-methoxyphenyl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 170557754
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carbaldehyde
CID 165461498
2-[4-[bromo(dideuterio)methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169049732
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 156525472

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 146309676) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)cc[nH]1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is WPKOWIBCFKXMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c9-6(10)8-13-12-7(15-8)4-1-2-11-5(14)3-4/h1-3,6H,(H,11,14).
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 213.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 146309676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).