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

C9H7F2N3O — CID 2725956

IUPAC3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C9H7F2N3O/c10-6-2-1-5(7(11)4-6)3-8-13-9(12)15-14-8/h1-2,4H,3H2,(H2,12,13,14)
InChIKeySJRXXPCGYRYSFY-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.52
Rot. Bonds2

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

3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 2725956) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID2725956
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C9H7F2N3O/c10-6-2-1-5(7(11)4-6)3-8-13-9(12)15-14-8/h1-2,4H,3H2,(H2,12,13,14)
InChIKeySJRXXPCGYRYSFY-UHFFFAOYSA-N
XLogP1.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine (CID 2725956) is 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine is Nc1nc(Cc2ccc(F)cc2F)no1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is SJRXXPCGYRYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-6-2-1-5(7(11)4-6)3-8-13-9(12)15-14-8/h1-2,4H,3H2,(H2,12,13,14).
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine?
3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 211.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 2725956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).