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

C14H14F3N3O — CID 136530178

IUPAC2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1CCCC(c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-5-1-3-9(7-11)12-19-20-13(21-12)10-4-2-6-18-8-10/h2,4,6,8-9,11H,1,3,5,7H2
InChIKeySELSOOSOFGJYLO-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.97
Rot. Bonds2

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

2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole (PubChem CID 136530178) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
PubChem CID136530178
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1CCCC(c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-5-1-3-9(7-11)12-19-20-13(21-12)10-4-2-6-18-8-10/h2,4,6,8-9,11H,1,3,5,7H2
InChIKeySELSOOSOFGJYLO-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11674428
2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155333
3-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 3135481
6-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11587811
4-(5-Pentadecyl-1,3,4-oxadiazol-2-yl)pyridine
CID 17757647
4-(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526884
3-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740478

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole (CID 136530178) is 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole is FC(F)(F)C1CCCC(c2nnc(-c3cccnc3)o2)C1.
What is the InChIKey of 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The InChIKey is SELSOOSOFGJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-5-1-3-9(7-11)12-19-20-13(21-12)10-4-2-6-18-8-10/h2,4,6,8-9,11H,1,3,5,7H2.
What are the key properties of 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole has a molecular weight of 297.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole is sourced from PubChem (CID 136530178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).