5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine

C18H13FN4OS — CID 66999764

IUPAC5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESFc1cc(Cc2sccc2-c2nnc(Nc3ccccc3)o2)ccn1
InChIInChI=1S/C18H13FN4OS/c19-16-11-12(6-8-20-16)10-15-14(7-9-25-15)17-22-23-18(24-17)21-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,23)
InChIKeyPHLHRLVWOQATLL-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.67
Rot. Bonds5

About 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine

5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 66999764) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID66999764
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESFc1cc(Cc2sccc2-c2nnc(Nc3ccccc3)o2)ccn1
InChIInChI=1S/C18H13FN4OS/c19-16-11-12(6-8-20-16)10-15-14(7-9-25-15)17-22-23-18(24-17)21-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,23)
InChIKeyPHLHRLVWOQATLL-UHFFFAOYSA-N
XLogP4.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine (CID 66999764) is 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine is Fc1cc(Cc2sccc2-c2nnc(Nc3ccccc3)o2)ccn1.
What is the InChIKey of 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PHLHRLVWOQATLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-16-11-12(6-8-20-16)10-15-14(7-9-25-15)17-22-23-18(24-17)21-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,23).
What are the key properties of 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 352.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66999764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).