2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol

C19H20FN3O2 — CID 75426862

IUPAC2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCc1ccccc1-c1nc(CN(C)C(CO)c2cccc(F)c2)no1
InChIInChI=1S/C19H20FN3O2/c1-13-6-3-4-9-16(13)19-21-18(22-25-19)11-23(2)17(12-24)14-7-5-8-15(20)10-14/h3-10,17,24H,11-12H2,1-2H3
InChIKeyQTAJWBSOOYZLFM-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.35
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol

2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (PubChem CID 75426862) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
PubChem CID75426862
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCc1ccccc1-c1nc(CN(C)C(CO)c2cccc(F)c2)no1
InChIInChI=1S/C19H20FN3O2/c1-13-6-3-4-9-16(13)19-21-18(22-25-19)11-23(2)17(12-24)14-7-5-8-15(20)10-14/h3-10,17,24H,11-12H2,1-2H3
InChIKeyQTAJWBSOOYZLFM-UHFFFAOYSA-N
XLogP3.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol with MolForge

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Related Compounds

3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82831138
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[(4,4-dimethylcyclohexyl)methyl-methylamino]-2-(3-fluorophenyl)ethanol
CID 166343238
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
2-(3-fluorophenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 71986954
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone
CID 70554936
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167795893

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (CID 75426862) is 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is Cc1ccccc1-c1nc(CN(C)C(CO)c2cccc(F)c2)no1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The InChIKey is QTAJWBSOOYZLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-6-3-4-9-16(13)19-21-18(22-25-19)11-23(2)17(12-24)14-7-5-8-15(20)10-14/h3-10,17,24H,11-12H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol has a molecular weight of 341.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[methyl-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 75426862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).