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

C17H23N3O2 — CID 84596270

IUPAC1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCc1ccccc1C(C)NCc1noc(C2CCOCC2)n1
InChIInChI=1S/C17H23N3O2/c1-12-5-3-4-6-15(12)13(2)18-11-16-19-17(22-20-16)14-7-9-21-10-8-14/h3-6,13-14,18H,7-11H2,1-2H3
InChIKeyWZRBDXFUKJRFPG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.12
Rot. Bonds5

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

1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 84596270) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID84596270
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCc1ccccc1C(C)NCc1noc(C2CCOCC2)n1
InChIInChI=1S/C17H23N3O2/c1-12-5-3-4-6-15(12)13(2)18-11-16-19-17(22-20-16)14-7-9-21-10-8-14/h3-6,13-14,18H,7-11H2,1-2H3
InChIKeyWZRBDXFUKJRFPG-UHFFFAOYSA-N
XLogP3.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
2-chloro-6-fluoro-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99838002
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 97334226
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
CID 99716030
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 84596270) is 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is Cc1ccccc1C(C)NCc1noc(C2CCOCC2)n1.
What is the InChIKey of 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is WZRBDXFUKJRFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-5-3-4-6-15(12)13(2)18-11-16-19-17(22-20-16)14-7-9-21-10-8-14/h3-6,13-14,18H,7-11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 301.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 84596270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).