3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one

C16H12ClF3N4O2 — CID 167770743

IUPAC3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1CCCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H12ClF3N4O2/c17-12-7-11(16(18,19)20)9-24(15(12)25)6-2-4-13-22-14(23-26-13)10-3-1-5-21-8-10/h1,3,5,7-9H,2,4,6H2
InChIKeyHHHSANGJTRROQF-UHFFFAOYSA-N
MW384.75 g/mol
LogP3.60
Rot. Bonds5

About 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 167770743) has the molecular formula C16H12ClF3N4O2 and a molecular weight of 384.75 g/mol. Its IUPAC name is 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID167770743
Molecular FormulaC16H12ClF3N4O2
Molecular Weight384.75 g/mol
Exact Mass384.06
IUPAC Name3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1CCCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H12ClF3N4O2/c17-12-7-11(16(18,19)20)9-24(15(12)25)6-2-4-13-22-14(23-26-13)10-3-1-5-21-8-10/h1,3,5,7-9H,2,4,6H2
InChIKeyHHHSANGJTRROQF-UHFFFAOYSA-N
XLogP3.60
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)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

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-chloro-2-hydroxybenzoate
CID 55569305
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-chloro-5-methylsulfonylbenzoate
CID 55488895
1,1,1-trifluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 55200862
3-isoquinolin-6-yl-5-[3-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole
CID 143747588
5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 97022831
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 50745272
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 8012203
2-methyl-7-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155945436
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-(3,4-dimethoxyphenyl)acetate
CID 55568618
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one (CID 167770743) is 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one is O=c1c(Cl)cc(C(F)(F)F)cn1CCCc1nc(-c2cccnc2)no1.
What is the InChIKey of 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is HHHSANGJTRROQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O2/c17-12-7-11(16(18,19)20)9-24(15(12)25)6-2-4-13-22-14(23-26-13)10-3-1-5-21-8-10/h1,3,5,7-9H,2,4,6H2.
What are the key properties of 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 384.75 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 167770743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).