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

C12H15N3O2 — CID 61412594

IUPAC4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOCCc1noc(-c2ccc(N)c(C)c2)n1
InChIInChI=1S/C12H15N3O2/c1-8-7-9(3-4-10(8)13)12-14-11(15-17-12)5-6-16-2/h3-4,7H,5-6,13H2,1-2H3
InChIKeyMWDCLGOXZKZTRL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds4

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

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (PubChem CID 61412594) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
PubChem CID61412594
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOCCc1noc(-c2ccc(N)c(C)c2)n1
InChIInChI=1S/C12H15N3O2/c1-8-7-9(3-4-10(8)13)12-14-11(15-17-12)5-6-16-2/h3-4,7H,5-6,13H2,1-2H3
InChIKeyMWDCLGOXZKZTRL-UHFFFAOYSA-N
XLogP1.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.82
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-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
2-chloro-4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094389
2-chloro-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094898
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116740285
5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 65094056
2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188189
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 61412543
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65095158
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-nitroaniline
CID 61412440
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 81476100
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylaniline
CID 63717575

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (CID 61412594) is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is COCCc1noc(-c2ccc(N)c(C)c2)n1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The InChIKey is MWDCLGOXZKZTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-7-9(3-4-10(8)13)12-14-11(15-17-12)5-6-16-2/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline has a molecular weight of 233.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is sourced from PubChem (CID 61412594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).