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

C9H17N3O3 — CID 110929495

IUPAC2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1nc(C)no1
InChIInChI=1S/C9H17N3O3/c1-8-10-9(15-11-8)7-12(3-5-13)4-6-14-2/h13H,3-7H2,1-2H3
InChIKeyMLLVIKFSNFLROT-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.18
Rot. Bonds7

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

2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (PubChem CID 110929495) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
PubChem CID110929495
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1nc(C)no1
InChIInChI=1S/C9H17N3O3/c1-8-10-9(15-11-8)7-12(3-5-13)4-6-14-2/h13H,3-7H2,1-2H3
InChIKeyMLLVIKFSNFLROT-UHFFFAOYSA-N
XLogP-0.18
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 88977391
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
N-(2-methoxyethyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777393
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113339840
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 115613587
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 113246452
1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62015929
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613823
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (CID 110929495) is 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is COCCN(CCO)Cc1nc(C)no1.
What is the InChIKey of 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The InChIKey is MLLVIKFSNFLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-8-10-9(15-11-8)7-12(3-5-13)4-6-14-2/h13H,3-7H2,1-2H3.
What are the key properties of 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol has a molecular weight of 215.25 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 110929495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).