2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C15H17N5O3 — CID 50953826

IUPAC2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCc1ccccc1-c1noc(CNCCOc2nonc2C)n1
InChIInChI=1S/C15H17N5O3/c1-10-5-3-4-6-12(10)14-17-13(22-19-14)9-16-7-8-21-15-11(2)18-23-20-15/h3-6,16H,7-9H2,1-2H3
InChIKeyRGKJIFKJYXUGHU-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.91
Rot. Bonds7

About 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 50953826) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID50953826
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCc1ccccc1-c1noc(CNCCOc2nonc2C)n1
InChIInChI=1S/C15H17N5O3/c1-10-5-3-4-6-12(10)14-17-13(22-19-14)9-16-7-8-21-15-11(2)18-23-20-15/h3-6,16H,7-9H2,1-2H3
InChIKeyRGKJIFKJYXUGHU-UHFFFAOYSA-N
XLogP1.91
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 78914987
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 119947767
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322766
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7894242
2-(2-methoxyphenoxy)-N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 46953648
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 50953826) is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is Cc1ccccc1-c1noc(CNCCOc2nonc2C)n1.
What is the InChIKey of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is RGKJIFKJYXUGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-5-3-4-6-12(10)14-17-13(22-19-14)9-16-7-8-21-15-11(2)18-23-20-15/h3-6,16H,7-9H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 315.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 50953826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).