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

C8H5F2N3O — CID 63692420

IUPAC5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C8H5F2N3O/c9-5-1-4(2-6(10)3-5)7-12-8(11)13-14-7/h1-3H,(H2,11,13)
InChIKeyYIGMVYPGYASQNV-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.60
Rot. Bonds1

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

5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 63692420) has the molecular formula C8H5F2N3O and a molecular weight of 197.14 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine
PubChem CID63692420
Molecular FormulaC8H5F2N3O
Molecular Weight197.14 g/mol
Exact Mass197.04
IUPAC Name5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C8H5F2N3O/c9-5-1-4(2-6(10)3-5)7-12-8(11)13-14-7/h1-3H,(H2,11,13)
InChIKeyYIGMVYPGYASQNV-UHFFFAOYSA-N
XLogP1.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine (CID 63692420) is 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine is Nc1noc(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is YIGMVYPGYASQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O/c9-5-1-4(2-6(10)3-5)7-12-8(11)13-14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine?
5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 197.14 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63692420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).