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

C14H19N3O3 — CID 111103170

IUPAC2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H19N3O3/c1-19-10-8-17(7-9-18)11-13-15-14(16-20-13)12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3
InChIKeyFLBONEMCWOYLHV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.18
Rot. Bonds8

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

2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (PubChem CID 111103170) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
PubChem CID111103170
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H19N3O3/c1-19-10-8-17(7-9-18)11-13-15-14(16-20-13)12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3
InChIKeyFLBONEMCWOYLHV-UHFFFAOYSA-N
XLogP1.18
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 42376741
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78807499
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 17499316
2-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 42287027
2-methoxy-N-(2-methoxyethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78807249
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 91572495
2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol
CID 110881468
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 52675924
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 111423257
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (CID 111103170) is 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is COCCN(CCO)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The InChIKey is FLBONEMCWOYLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-10-8-17(7-9-18)11-13-15-14(16-20-13)12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3.
What are the key properties of 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol has a molecular weight of 277.32 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 111103170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).