N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline

C15H21N3O2 — CID 106814680

IUPACN-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline
SMILESCCOCCc1noc(CCCNc2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-2-19-12-10-14-17-15(20-18-14)9-6-11-16-13-7-4-3-5-8-13/h3-5,7-8,16H,2,6,9-12H2,1H3
InChIKeyBVKFBUMTJAHWEA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.69
Rot. Bonds9

About N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline

N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline (PubChem CID 106814680) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline.

Molecular Properties

Compound NameN-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline
PubChem CID106814680
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline
SMILESCCOCCc1noc(CCCNc2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-2-19-12-10-14-17-15(20-18-14)9-6-11-16-13-7-4-3-5-8-13/h3-5,7-8,16H,2,6,9-12H2,1H3
InChIKeyBVKFBUMTJAHWEA-UHFFFAOYSA-N
XLogP2.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 60838055
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 103145890
4-chloro-N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 106814591
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
N-(12-ethoxydodecyl)aniline
CID 54545171
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
N-[3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 116703413
N-[3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 116806613
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline?
The IUPAC name of N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline (CID 106814680) is N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline.
What is the SMILES notation for N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline?
The canonical SMILES for N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline is CCOCCc1noc(CCCNc2ccccc2)n1.
What is the InChIKey of N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline?
The InChIKey is BVKFBUMTJAHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-19-12-10-14-17-15(20-18-14)9-6-11-16-13-7-4-3-5-8-13/h3-5,7-8,16H,2,6,9-12H2,1H3.
What are the key properties of N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline?
N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline has a molecular weight of 275.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline is sourced from PubChem (CID 106814680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).