3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

C11H12FN3O2 — CID 46342063

IUPAC3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccccc2F)no1
InChIInChI=1S/C11H12FN3O2/c1-16-7-6-13-11-14-10(15-17-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14,15)
InChIKeyQINBWPXBNNETED-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.93
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342063) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342063
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccccc2F)no1
InChIInChI=1S/C11H12FN3O2/c1-16-7-6-13-11-14-10(15-17-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14,15)
InChIKeyQINBWPXBNNETED-UHFFFAOYSA-N
XLogP1.93
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 46342063) is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(-c2ccccc2F)no1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is QINBWPXBNNETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-16-7-6-13-11-14-10(15-17-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14,15).
What are the key properties of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 237.23 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).