5-(fluoromethyl)-1,3,4-oxadiazol-2-amine

C3H4FN3O — CID 84731061

IUPAC5-(fluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CF)o1
InChIInChI=1S/C3H4FN3O/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7)
InChIKeyVIHZYZXGYWSUPD-UHFFFAOYSA-N
MW117.08 g/mol
LogP0.12
Rot. Bonds1

About 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine

5-(fluoromethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 84731061) has the molecular formula C3H4FN3O and a molecular weight of 117.08 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3,4-oxadiazol-2-amine
PubChem CID84731061
Molecular FormulaC3H4FN3O
Molecular Weight117.08 g/mol
Exact Mass117.03
IUPAC Name5-(fluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CF)o1
InChIInChI=1S/C3H4FN3O/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7)
InChIKeyVIHZYZXGYWSUPD-UHFFFAOYSA-N
XLogP0.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.08
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 28780022
5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 46837423
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine
CID 62715106
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 45496453
5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354
5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 82468042
5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 45496455
5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine
CID 170758052
5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine
CID 67968193
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine (CID 84731061) is 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(CF)o1.
What is the InChIKey of 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VIHZYZXGYWSUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3O/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7).
What are the key properties of 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine?
5-(fluoromethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 117.08 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84731061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).