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

C15H9ClF3N3O2 — CID 4850945

IUPAC3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H9ClF3N3O2/c16-11-6-10(15(17,18)19)7-22(14(11)23)8-12-20-21-13(24-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyJJCIQVLFOOCCST-UHFFFAOYSA-N
MW355.70 g/mol
LogP3.62
Rot. Bonds3

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

3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 4850945) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID4850945
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC Name3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H9ClF3N3O2/c16-11-6-10(15(17,18)19)7-22(14(11)23)8-12-20-21-13(24-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyJJCIQVLFOOCCST-UHFFFAOYSA-N
XLogP3.62
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 4850945) is 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JJCIQVLFOOCCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c16-11-6-10(15(17,18)19)7-22(14(11)23)8-12-20-21-13(24-12)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 355.70 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 4850945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).