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

C11H12FN3O2 — CID 79613731

IUPAC2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC(C)c1noc(-c2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H12FN3O2/c1-6(16-2)10-14-11(17-15-10)7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3
InChIKeyMUGVFSBKSOAYHQ-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.17
Rot. Bonds3

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

2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 79613731) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID79613731
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC(C)c1noc(-c2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H12FN3O2/c1-6(16-2)10-14-11(17-15-10)7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3
InChIKeyMUGVFSBKSOAYHQ-UHFFFAOYSA-N
XLogP2.17
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.17
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-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702974
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 79614402
2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79614235
5-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613649
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188189
2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 79613479
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-(trifluoromethyl)aniline
CID 79613564
2-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136967854
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 79613889
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline (CID 79613731) is 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline is COC(C)c1noc(-c2ccc(N)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is MUGVFSBKSOAYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-6(16-2)10-14-11(17-15-10)7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 237.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 79613731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).