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

C12H10FN5O — CID 82895537

IUPAC5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCn1cncc1-c1noc(-c2ccc(F)cc2N)n1
InChIInChI=1S/C12H10FN5O/c1-18-6-15-5-10(18)11-16-12(19-17-11)8-3-2-7(13)4-9(8)14/h2-6H,14H2,1H3
InChIKeyWTMUJMMZROQNLG-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.86
Rot. Bonds2

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

5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 82895537) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID82895537
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCn1cncc1-c1noc(-c2ccc(F)cc2N)n1
InChIInChI=1S/C12H10FN5O/c1-18-6-15-5-10(18)11-16-12(19-17-11)8-3-2-7(13)4-9(8)14/h2-6H,14H2,1H3
InChIKeyWTMUJMMZROQNLG-UHFFFAOYSA-N
XLogP1.86
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 82895537) is 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline is Cn1cncc1-c1noc(-c2ccc(F)cc2N)n1.
What is the InChIKey of 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is WTMUJMMZROQNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-18-6-15-5-10(18)11-16-12(19-17-11)8-3-2-7(13)4-9(8)14/h2-6H,14H2,1H3.
What are the key properties of 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 259.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 82895537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).