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

C17H19N3O3S — CID 111122603

IUPAC2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C17H19N3O3S/c1-20(14(11-21)12-5-7-13(22-2)8-6-12)10-16-18-17(19-23-16)15-4-3-9-24-15/h3-9,14,21H,10-11H2,1-2H3
InChIKeyRSOXHBQHLCHFDE-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.97
Rot. Bonds7

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

2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (PubChem CID 111122603) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
PubChem CID111122603
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C17H19N3O3S/c1-20(14(11-21)12-5-7-13(22-2)8-6-12)10-16-18-17(19-23-16)15-4-3-9-24-15/h3-9,14,21H,10-11H2,1-2H3
InChIKeyRSOXHBQHLCHFDE-UHFFFAOYSA-N
XLogP2.97
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111123352
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
2-methoxy-N-(2-methoxyethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78807249
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18115498
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
1-[N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 51106348
2-(4-tert-butylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132661093
2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132658123
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548
2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144239

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (CID 111122603) is 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is COc1ccc(C(CO)N(C)Cc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The InChIKey is RSOXHBQHLCHFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-20(14(11-21)12-5-7-13(22-2)8-6-12)10-16-18-17(19-23-16)15-4-3-9-24-15/h3-9,14,21H,10-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol has a molecular weight of 345.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 111122603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).