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

C14H14F3N3O — CID 2726889

IUPAC2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccncc1-c1nnc(C2CCCCC2)o1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-6-7-18-8-10(11)13-20-19-12(21-13)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyDFVIRQZAKNVTBF-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.20
Rot. Bonds2

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

2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 2726889) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID2726889
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccncc1-c1nnc(C2CCCCC2)o1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-6-7-18-8-10(11)13-20-19-12(21-13)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyDFVIRQZAKNVTBF-UHFFFAOYSA-N
XLogP4.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 2726889) is 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1ccncc1-c1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is DFVIRQZAKNVTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-6-7-18-8-10(11)13-20-19-12(21-13)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 297.28 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2726889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).