3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one

C14H5Cl3F3N3O2 — CID 2727156

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(Cl)c(Cl)c2)nn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H5Cl3F3N3O2/c15-8-2-1-6(3-9(8)16)12-22-23(13(24)25-12)11-10(17)4-7(5-21-11)14(18,19)20/h1-5H
InChIKeyUFGBSJACJHYWBL-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.87
Rot. Bonds2

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 2727156) has the molecular formula C14H5Cl3F3N3O2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID2727156
Molecular FormulaC14H5Cl3F3N3O2
Molecular Weight410.57 g/mol
Exact Mass408.94
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(Cl)c(Cl)c2)nn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H5Cl3F3N3O2/c15-8-2-1-6(3-9(8)16)12-22-23(13(24)25-12)11-10(17)4-7(5-21-11)14(18,19)20/h1-5H
InChIKeyUFGBSJACJHYWBL-UHFFFAOYSA-N
XLogP4.87
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one (CID 2727156) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(Cl)c(Cl)c2)nn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is UFGBSJACJHYWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Cl3F3N3O2/c15-8-2-1-6(3-9(8)16)12-22-23(13(24)25-12)11-10(17)4-7(5-21-11)14(18,19)20/h1-5H.
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 410.57 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2727156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).