2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol

C18H15F3N2O2 — CID 146469153

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESCc1noc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C18H15F3N2O2/c1-11-22-17(25-23-11)10-16(24)14-4-2-3-13(9-14)12-5-7-15(8-6-12)18(19,20)21/h2-9,16,24H,10H2,1H3
InChIKeyDDNLNNBGYHGNNR-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.34
Rot. Bonds4

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol

2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 146469153) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
PubChem CID146469153
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESCc1noc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C18H15F3N2O2/c1-11-22-17(25-23-11)10-16(24)14-4-2-3-13(9-14)12-5-7-15(8-6-12)18(19,20)21/h2-9,16,24H,10H2,1H3
InChIKeyDDNLNNBGYHGNNR-UHFFFAOYSA-N
XLogP4.34
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
CID 162671192
1-(3,5-Difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
CID 162671338
1-Phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
CID 162672782
4-[1-Hydroxy-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-enyl]benzonitrile
CID 162672884
2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 399835
2,2-Difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 10595311
5-(3-Fluoro-4-phenyl-alpha-methylbenzyl)-3-(2-hydroxyethyl)-1,2,4-oxadiazole
CID 20230259
(4-(5-(2'-Methyl-2-(trifluoromethyl)biphenyl-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethanol
CID 66652855
[3-Fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 90091989
(2,4-Difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328727
Phenyl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328743
2-(5-Methyl-1,2,4-oxadiazol-3-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469109

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (CID 146469153) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is Cc1noc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The InChIKey is DDNLNNBGYHGNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-11-22-17(25-23-11)10-16(24)14-4-2-3-13(9-14)12-5-7-15(8-6-12)18(19,20)21/h2-9,16,24H,10H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 348.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 146469153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).