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

C15H10F3N3O — CID 139228901

IUPAC2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(-c3ccc(C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C15H10F3N3O/c1-9-20-21-14(22-9)12-6-11(7-19-8-12)10-2-4-13(5-3-10)15(16,17)18/h2-8H,1H3
InChIKeyOEBKFUDBLTXHKD-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.13
Rot. Bonds2

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

2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 139228901) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID139228901
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(-c3ccc(C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C15H10F3N3O/c1-9-20-21-14(22-9)12-6-11(7-19-8-12)10-2-4-13(5-3-10)15(16,17)18/h2-8H,1H3
InChIKeyOEBKFUDBLTXHKD-UHFFFAOYSA-N
XLogP4.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.13
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
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
N-(4-tert-butylphenyl)-4-(3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl)benzamide
CID 44416415
3-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740478
2-(4-Bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 823507
3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 139228901) is 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1nnc(-c2cncc(-c3ccc(C(F)(F)F)cc3)c2)o1.
What is the InChIKey of 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is OEBKFUDBLTXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-9-20-21-14(22-9)12-6-11(7-19-8-12)10-2-4-13(5-3-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 305.26 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139228901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).