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

C13H14FN3O2 — CID 115292579

IUPAC4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1(c2nc(-c3ccccc3F)no2)CCOCC1
InChIInChI=1S/C13H14FN3O2/c14-10-4-2-1-3-9(10)11-16-12(19-17-11)13(15)5-7-18-8-6-13/h1-4H,5-8,15H2
InChIKeyBNVCDZFCHSFOCR-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.84
Rot. Bonds2

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

4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 115292579) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID115292579
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1(c2nc(-c3ccccc3F)no2)CCOCC1
InChIInChI=1S/C13H14FN3O2/c14-10-4-2-1-3-9(10)11-16-12(19-17-11)13(15)5-7-18-8-6-13/h1-4H,5-8,15H2
InChIKeyBNVCDZFCHSFOCR-UHFFFAOYSA-N
XLogP1.84
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 115292579) is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is NC1(c2nc(-c3ccccc3F)no2)CCOCC1.
What is the InChIKey of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is BNVCDZFCHSFOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-10-4-2-1-3-9(10)11-16-12(19-17-11)13(15)5-7-18-8-6-13/h1-4H,5-8,15H2.
What are the key properties of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 263.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 115292579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).