ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline

C20H27N5O2 — CID 154683572

IUPACethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline
SMILESC=C.CCc1noc(-c2cccc(NCCCCCc3nc(C)no3)c2)n1
InChIInChI=1S/C18H23N5O2.C2H4/c1-3-16-21-18(25-23-16)14-8-7-9-15(12-14)19-11-6-4-5-10-17-20-13(2)22-24-17;1-2/h7-9,12,19H,3-6,10-11H2,1-2H3;1-2H2
InChIKeyXJSXMYIVLBZWSF-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.62
Rot. Bonds9

About ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline

ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline (PubChem CID 154683572) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline.

Molecular Properties

Compound Nameethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline
PubChem CID154683572
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Nameethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline
SMILESC=C.CCc1noc(-c2cccc(NCCCCCc3nc(C)no3)c2)n1
InChIInChI=1S/C18H23N5O2.C2H4/c1-3-16-21-18(25-23-16)14-8-7-9-15(12-14)19-11-6-4-5-10-17-20-13(2)22-24-17;1-2/h7-9,12,19H,3-6,10-11H2,1-2H3;1-2H2
InChIKeyXJSXMYIVLBZWSF-UHFFFAOYSA-N
XLogP4.62
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 155063225
N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133730
2-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)anilino]methylidene]propanedinitrile
CID 168542942
methyl 2-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentylamino]phenyl]cyclopropane-1-carboxylate
CID 167077923
3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133725
N-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133778
3-bromo-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentyl]aniline
CID 166977158
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995
3-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]benzene-1,3-diamine;ethene
CID 154683922
N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 60838055
N-[2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133771
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688

Frequently Asked Questions

What is the IUPAC name of ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline?
The IUPAC name of ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline (CID 154683572) is ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline.
What is the SMILES notation for ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline?
The canonical SMILES for ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline is C=C.CCc1noc(-c2cccc(NCCCCCc3nc(C)no3)c2)n1.
What is the InChIKey of ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline?
The InChIKey is XJSXMYIVLBZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.C2H4/c1-3-16-21-18(25-23-16)14-8-7-9-15(12-14)19-11-6-4-5-10-17-20-13(2)22-24-17;1-2/h7-9,12,19H,3-6,10-11H2,1-2H3;1-2H2.
What are the key properties of ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline?
ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline has a molecular weight of 369.47 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline is sourced from PubChem (CID 154683572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).