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

C24H19F3N2O2 — CID 66652855

IUPAC1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccc(C(C)O)cc3)no2)cc1C(F)(F)F
InChIInChI=1S/C24H19F3N2O2/c1-14-5-3-4-6-19(14)20-12-11-18(13-21(20)24(25,26)27)23-28-22(29-31-23)17-9-7-16(8-10-17)15(2)30/h3-13,15,30H,1-2H3
InChIKeyLZHZRUMDTRUWCF-UHFFFAOYSA-N
MW424.42 g/mol
LogP6.45
Rot. Bonds4

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

1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol (PubChem CID 66652855) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol
PubChem CID66652855
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC Name1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccc(C(C)O)cc3)no2)cc1C(F)(F)F
InChIInChI=1S/C24H19F3N2O2/c1-14-5-3-4-6-19(14)20-12-11-18(13-21(20)24(25,26)27)23-28-22(29-31-23)17-9-7-16(8-10-17)15(2)30/h3-13,15,30H,1-2H3
InChIKeyLZHZRUMDTRUWCF-UHFFFAOYSA-N
XLogP6.45
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol (CID 66652855) is 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol is Cc1ccccc1-c1ccc(-c2nc(-c3ccc(C(C)O)cc3)no2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The InChIKey is LZHZRUMDTRUWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c1-14-5-3-4-6-19(14)20-12-11-18(13-21(20)24(25,26)27)23-28-22(29-31-23)17-9-7-16(8-10-17)15(2)30/h3-13,15,30H,1-2H3.
What are the key properties of 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol has a molecular weight of 424.42 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 66652855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).