5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline

C12H15N3O2 — CID 79614402

IUPAC5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOC(C)c1noc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C12H15N3O2/c1-7-4-5-9(6-10(7)13)12-14-11(15-17-12)8(2)16-3/h4-6,8H,13H2,1-3H3
InChIKeyXDNFACVQHOWEMX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.33
Rot. Bonds3

About 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline

5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (PubChem CID 79614402) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
PubChem CID79614402
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOC(C)c1noc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C12H15N3O2/c1-7-4-5-9(6-10(7)13)12-14-11(15-17-12)8(2)16-3/h4-6,8H,13H2,1-3H3
InChIKeyXDNFACVQHOWEMX-UHFFFAOYSA-N
XLogP2.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79614235
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613731
2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 79613479
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
5-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613649
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28541006
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 79613889
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylaniline
CID 63717575
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-(trifluoromethyl)aniline
CID 79613564
2-fluoro-4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702974

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The IUPAC name of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (CID 79614402) is 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.
What is the SMILES notation for 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The canonical SMILES for 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is COC(C)c1noc(-c2ccc(C)c(N)c2)n1.
What is the InChIKey of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The InChIKey is XDNFACVQHOWEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-5-9(6-10(7)13)12-14-11(15-17-12)8(2)16-3/h4-6,8H,13H2,1-3H3.
What are the key properties of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline has a molecular weight of 233.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is sourced from PubChem (CID 79614402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).