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

C9H8FN3O — CID 2795651

IUPAC3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeySOEJAETWBKZKOE-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.38
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 2795651) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID2795651
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeySOEJAETWBKZKOE-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine (CID 2795651) is 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine is Nc1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is SOEJAETWBKZKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 193.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 2795651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).