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

C13H14FN3O2 — CID 45106960

IUPAC3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCC2CCCO2)n1
InChIInChI=1S/C13H14FN3O2/c14-11-6-2-1-5-10(11)12-16-13(19-17-12)15-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17)
InChIKeyDZEFLLYHHUASJV-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.47
Rot. Bonds4

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

3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 45106960) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID45106960
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCC2CCCO2)n1
InChIInChI=1S/C13H14FN3O2/c14-11-6-2-1-5-10(11)12-16-13(19-17-12)15-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17)
InChIKeyDZEFLLYHHUASJV-UHFFFAOYSA-N
XLogP2.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 45106960) is 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine is Fc1ccccc1-c1noc(NCC2CCCO2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is DZEFLLYHHUASJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-11-6-2-1-5-10(11)12-16-13(19-17-12)15-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17).
What are the key properties of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 263.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 45106960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).