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

C11H10F3N3O — CID 169163359

IUPAC2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cc(C(F)(F)F)ccn2)o1
InChIInChI=1S/C11H10F3N3O/c1-6(2)9-16-17-10(18-9)8-5-7(3-4-15-8)11(12,13)14/h3-6H,1-2H3
InChIKeyZIVREASJERHVLF-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.27
Rot. Bonds2

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

2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169163359) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID169163359
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cc(C(F)(F)F)ccn2)o1
InChIInChI=1S/C11H10F3N3O/c1-6(2)9-16-17-10(18-9)8-5-7(3-4-15-8)11(12,13)14/h3-6H,1-2H3
InChIKeyZIVREASJERHVLF-UHFFFAOYSA-N
XLogP3.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (CID 169163359) is 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is CC(C)c1nnc(-c2cc(C(F)(F)F)ccn2)o1.
What is the InChIKey of 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is ZIVREASJERHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6(2)9-16-17-10(18-9)8-5-7(3-4-15-8)11(12,13)14/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 257.21 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169163359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).