ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline

C15H23N3O3 — CID 144545178

IUPACethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
SMILESCC.COCCOCc1nc(-c2ccc(C)c(N)c2)no1
InChIInChI=1S/C13H17N3O3.C2H6/c1-9-3-4-10(7-11(9)14)13-15-12(19-16-13)8-18-6-5-17-2;1-2/h3-4,7H,5-6,8,14H2,1-2H3;1-2H3
InChIKeySFZKRKYBFFLHPP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.82
Rot. Bonds6

About ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline

ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline (PubChem CID 144545178) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline.

Molecular Properties

Compound Nameethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
PubChem CID144545178
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
SMILESCC.COCCOCc1nc(-c2ccc(C)c(N)c2)no1
InChIInChI=1S/C13H17N3O3.C2H6/c1-9-3-4-10(7-11(9)14)13-15-12(19-16-13)8-18-6-5-17-2;1-2/h3-4,7H,5-6,8,14H2,1-2H3;1-2H3
InChIKeySFZKRKYBFFLHPP-UHFFFAOYSA-N
XLogP2.82
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 144545214
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 91572495
4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one;ethane
CID 144545200
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
2-[[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463409
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
CID 82471138
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylbenzoate
CID 29350373
2-methyl-5-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)aniline
CID 123988644
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463985
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(trifluoromethyl)benzoate
CID 46519572
2-[2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenoxy]ethanol
CID 78878303

Frequently Asked Questions

What is the IUPAC name of ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The IUPAC name of ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline (CID 144545178) is ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline.
What is the SMILES notation for ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The canonical SMILES for ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline is CC.COCCOCc1nc(-c2ccc(C)c(N)c2)no1.
What is the InChIKey of ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The InChIKey is SFZKRKYBFFLHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.C2H6/c1-9-3-4-10(7-11(9)14)13-15-12(19-16-13)8-18-6-5-17-2;1-2/h3-4,7H,5-6,8,14H2,1-2H3;1-2H3.
What are the key properties of ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?
ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline has a molecular weight of 293.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline is sourced from PubChem (CID 144545178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).