5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

C14H6Cl2F3N3O2 — CID 589699

IUPAC5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(Cl)c(Cl)c2)nn1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H6Cl2F3N3O2/c15-8-5-4-7(6-9(8)16)12-21-22(13(23)24-12)11-3-1-2-10(20-11)14(17,18)19/h1-6H
InChIKeyMULQOQUKNCPIFV-UHFFFAOYSA-N
MW376.12 g/mol
LogP4.21
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (PubChem CID 589699) has the molecular formula C14H6Cl2F3N3O2 and a molecular weight of 376.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
PubChem CID589699
Molecular FormulaC14H6Cl2F3N3O2
Molecular Weight376.12 g/mol
Exact Mass374.98
IUPAC Name5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(Cl)c(Cl)c2)nn1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H6Cl2F3N3O2/c15-8-5-4-7(6-9(8)16)12-21-22(13(23)24-12)11-3-1-2-10(20-11)14(17,18)19/h1-6H
InChIKeyMULQOQUKNCPIFV-UHFFFAOYSA-N
XLogP4.21
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (CID 589699) is 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(Cl)c(Cl)c2)nn1-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The InChIKey is MULQOQUKNCPIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F3N3O2/c15-8-5-4-7(6-9(8)16)12-21-22(13(23)24-12)11-3-1-2-10(20-11)14(17,18)19/h1-6H.
What are the key properties of 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one has a molecular weight of 376.12 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 589699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).