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

C14H20N4O3 — CID 120751171

IUPAC2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)Cc1noc(CN)n1
InChIInChI=1S/C14H20N4O3/c1-20-12-5-3-2-4-11(12)9-18(6-7-19)10-13-16-14(8-15)21-17-13/h2-5,19H,6-10,15H2,1H3
InChIKeyVRRJCGUEHHRBIN-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.53
Rot. Bonds8

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

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol (PubChem CID 120751171) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol
PubChem CID120751171
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)Cc1noc(CN)n1
InChIInChI=1S/C14H20N4O3/c1-20-12-5-3-2-4-11(12)9-18(6-7-19)10-13-16-14(8-15)21-17-13/h2-5,19H,6-10,15H2,1H3
InChIKeyVRRJCGUEHHRBIN-UHFFFAOYSA-N
XLogP0.53
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 110932771
2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 111461930
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 120751201
2-[N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]anilino]ethanol
CID 120750422
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 120750508
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine
CID 120750424
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dibenzyl-N-methylethane-1,2-diamine
CID 120753052
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol (CID 120751171) is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol is COc1ccccc1CN(CCO)Cc1noc(CN)n1.
What is the InChIKey of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is VRRJCGUEHHRBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-20-12-5-3-2-4-11(12)9-18(6-7-19)10-13-16-14(8-15)21-17-13/h2-5,19H,6-10,15H2,1H3.
What are the key properties of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 292.34 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 120751171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).