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

C16H14F2N4O2 — CID 156525722

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCCc1cccnc1
InChIInChI=1S/C16H14F2N4O2/c17-14(18)16-21-20-15(24-16)12-5-8-22(13(23)9-12)7-2-4-11-3-1-6-19-10-11/h1,3,5-6,8-10,14H,2,4,7H2
InChIKeyIKFGAXBWSJGNHQ-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.86
Rot. Bonds6

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

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one (PubChem CID 156525722) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one
PubChem CID156525722
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCCc1cccnc1
InChIInChI=1S/C16H14F2N4O2/c17-14(18)16-21-20-15(24-16)12-5-8-22(13(23)9-12)7-2-4-11-3-1-6-19-10-11/h1,3,5-6,8-10,14H,2,4,7H2
InChIKeyIKFGAXBWSJGNHQ-UHFFFAOYSA-N
XLogP2.86
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 146309641
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-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
CID 156525703
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-(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-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one
CID 146309700
3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-6-phenylpyrimidin-4-one
CID 178112122
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-pyridin-3-ylsulfanylaniline
CID 145239313
3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one
CID 154665059
2-(difluoromethyl)-5-[4-[(5-isoquinolin-7-yltetrazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 162722504
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[methyl-[(3-pyrazin-2-ylphenyl)methyl]amino]-3H-isoindol-1-one
CID 162510985

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one (CID 156525722) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1CCCc1cccnc1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one?
The InChIKey is IKFGAXBWSJGNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c17-14(18)16-21-20-15(24-16)12-5-8-22(13(23)9-12)7-2-4-11-3-1-6-19-10-11/h1,3,5-6,8-10,14H,2,4,7H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one has a molecular weight of 332.31 g/mol, XLogP of 2.86, 6 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-(3-pyridin-3-ylpropyl)pyridin-2-one is sourced from PubChem (CID 156525722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).