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

C8H6FN3O — CID 118703828

IUPACN-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1Nc1nnco1
InChIInChI=1S/C8H6FN3O/c9-6-3-1-2-4-7(6)11-8-12-10-5-13-8/h1-5H,(H,11,12)
InChIKeyBVBCPRMLCJGGFV-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.95
Rot. Bonds2

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

N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 118703828) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID118703828
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC NameN-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1Nc1nnco1
InChIInChI=1S/C8H6FN3O/c9-6-3-1-2-4-7(6)11-8-12-10-5-13-8/h1-5H,(H,11,12)
InChIKeyBVBCPRMLCJGGFV-UHFFFAOYSA-N
XLogP1.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 118703828) is N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine is Fc1ccccc1Nc1nnco1.
What is the InChIKey of N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BVBCPRMLCJGGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-6-3-1-2-4-7(6)11-8-12-10-5-13-8/h1-5H,(H,11,12).
What are the key properties of N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine?
N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 179.15 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 118703828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).