3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C12H12FN3O2 — CID 64889208

IUPAC3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(-c3cccc(F)c3)no2)CCOC1
InChIInChI=1S/C12H12FN3O2/c13-9-3-1-2-8(6-9)10-15-11(18-16-10)12(14)4-5-17-7-12/h1-3,6H,4-5,7,14H2
InChIKeySKVDHOVITPHYGI-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.45
Rot. Bonds2

About 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 64889208) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID64889208
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(-c3cccc(F)c3)no2)CCOC1
InChIInChI=1S/C12H12FN3O2/c13-9-3-1-2-8(6-9)10-15-11(18-16-10)12(14)4-5-17-7-12/h1-3,6H,4-5,7,14H2
InChIKeySKVDHOVITPHYGI-UHFFFAOYSA-N
XLogP1.45
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 64889208) is 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1(c2nc(-c3cccc(F)c3)no2)CCOC1.
What is the InChIKey of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is SKVDHOVITPHYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-9-3-1-2-8(6-9)10-15-11(18-16-10)12(14)4-5-17-7-12/h1-3,6H,4-5,7,14H2.
What are the key properties of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 249.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 64889208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).