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

C15H21N3O3 — CID 115613587

IUPAC2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H21N3O3/c1-12-3-5-13(6-4-12)15-16-14(17-21-15)11-18(7-9-19)8-10-20-2/h3-6,19H,7-11H2,1-2H3
InChIKeyNVEVIOKTCPQNBW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.49
Rot. Bonds8

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

2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (PubChem CID 115613587) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
PubChem CID115613587
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCOCCN(CCO)Cc1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H21N3O3/c1-12-3-5-13(6-4-12)15-16-14(17-21-15)11-18(7-9-19)8-10-20-2/h3-6,19H,7-11H2,1-2H3
InChIKeyNVEVIOKTCPQNBW-UHFFFAOYSA-N
XLogP1.49
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 110932771
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 107485272
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol
CID 79038116
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 61412543
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 113246452
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62821769
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 62020296

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (CID 115613587) is 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is COCCN(CCO)Cc1noc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The InChIKey is NVEVIOKTCPQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-12-3-5-13(6-4-12)15-16-14(17-21-15)11-18(7-9-19)8-10-20-2/h3-6,19H,7-11H2,1-2H3.
What are the key properties of 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol has a molecular weight of 291.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 115613587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).