2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole

C11H10F3N3O2 — CID 169162789

IUPAC2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccc(OC(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3O2/c1-6(2)9-16-17-10(18-9)8-4-3-7(5-15-8)19-11(12,13)14/h3-6H,1-2H3
InChIKeyKFJQIFMQGPKMBO-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.15
Rot. Bonds3

About 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole

2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169162789) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID169162789
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccc(OC(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3O2/c1-6(2)9-16-17-10(18-9)8-4-3-7(5-15-8)19-11(12,13)14/h3-6H,1-2H3
InChIKeyKFJQIFMQGPKMBO-UHFFFAOYSA-N
XLogP3.15
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole (CID 169162789) is 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole is CC(C)c1nnc(-c2ccc(OC(F)(F)F)cn2)o1.
What is the InChIKey of 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is KFJQIFMQGPKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-6(2)9-16-17-10(18-9)8-4-3-7(5-15-8)19-11(12,13)14/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 273.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169162789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).