3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C16H12F3N3O — CID 145421115

IUPAC3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1
InChIInChI=1S/C16H12F3N3O/c1-10(13-4-2-3-9-20-13)11-5-7-12(8-6-11)14-21-15(23-22-14)16(17,18)19/h2-10H,1H3
InChIKeyLCGBOHBMTMRTIA-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.30
Rot. Bonds3

About 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 145421115) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID145421115
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1
InChIInChI=1S/C16H12F3N3O/c1-10(13-4-2-3-9-20-13)11-5-7-12(8-6-11)14-21-15(23-22-14)16(17,18)19/h2-10H,1H3
InChIKeyLCGBOHBMTMRTIA-UHFFFAOYSA-N
XLogP4.30
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxo-propan-2-yl-pyridin-2-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imino-λ6-sulfane
CID 153332529
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethane-1,2-diol
CID 155192965
[(1R)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl] carbamate
CID 142514355
3-(4-tert-butylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370360
ethane;2-(1-phenylethyl)pyridine
CID 143899083
(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328662
N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]acetamide
CID 166851163
3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 5278385
3-[4-(phenylsulfanylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370356
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]benzenesulfonamide
CID 156666693
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine
CID 135353236

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 145421115) is 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is CC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1.
What is the InChIKey of 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is LCGBOHBMTMRTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-10(13-4-2-3-9-20-13)11-5-7-12(8-6-11)14-21-15(23-22-14)16(17,18)19/h2-10H,1H3.
What are the key properties of 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 319.29 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 145421115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).