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

C19H18F3N3O2 — CID 45235261

IUPAC2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC(O)c1ccccc1
InChIInChI=1S/C19H18F3N3O2/c1-25(11-16(26)13-5-3-2-4-6-13)12-17-23-18(24-27-17)14-7-9-15(10-8-14)19(20,21)22/h2-10,16,26H,11-12H2,1H3
InChIKeyIYKOLXVFMWJNRZ-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.92
Rot. Bonds6

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

2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol (PubChem CID 45235261) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol
PubChem CID45235261
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC(O)c1ccccc1
InChIInChI=1S/C19H18F3N3O2/c1-25(11-16(26)13-5-3-2-4-6-13)12-17-23-18(24-27-17)14-7-9-15(10-8-14)19(20,21)22/h2-10,16,26H,11-12H2,1H3
InChIKeyIYKOLXVFMWJNRZ-UHFFFAOYSA-N
XLogP3.92
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 55816296
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 134033852
2-methyl-3-[methyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]propanenitrile
CID 47545944
N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 29208508
2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 86895167
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide
CID 134213043
N-[(2S)-2-hydroxy-2-phenylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 42384410
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-2,2-diphenylacetate
CID 32738664
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469153
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol (CID 45235261) is 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol is CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC(O)c1ccccc1.
What is the InChIKey of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol?
The InChIKey is IYKOLXVFMWJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-25(11-16(26)13-5-3-2-4-6-13)12-17-23-18(24-27-17)14-7-9-15(10-8-14)19(20,21)22/h2-10,16,26H,11-12H2,1H3.
What are the key properties of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol?
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol has a molecular weight of 377.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol is sourced from PubChem (CID 45235261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).