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

C19H21N3O3 — CID 110932771

IUPAC2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O3/c1-24-17-10-6-5-9-16(17)13-22(11-12-23)14-18-20-19(25-21-18)15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3
InChIKeyHGWJWFBFLYKDIR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.74
Rot. Bonds8

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

2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (PubChem CID 110932771) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
PubChem CID110932771
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O3/c1-24-17-10-6-5-9-16(17)13-22(11-12-23)14-18-20-19(25-21-18)15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3
InChIKeyHGWJWFBFLYKDIR-UHFFFAOYSA-N
XLogP2.74
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 120751171
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 115613587
2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 111461930
N-[(2-methoxyphenyl)methyl]-N-[[4-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
CID 91167948
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62020853
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 107485272
2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (CID 110932771) is 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is COc1ccccc1CN(CCO)Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The InChIKey is HGWJWFBFLYKDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-10-6-5-9-16(17)13-22(11-12-23)14-18-20-19(25-21-18)15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol has a molecular weight of 339.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 110932771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).