[(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene

C17H13F2N5O — CID 135246037

IUPAC[(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene
SMILESC/N=N/C(=C(\C)c1ccccn1)c1nc(-c2cc(F)ccc2F)no1
InChIInChI=1S/C17H13F2N5O/c1-10(14-5-3-4-8-21-14)15(23-20-2)17-22-16(24-25-17)12-9-11(18)6-7-13(12)19/h3-9H,1-2H3/b15-10+,23-20+
InChIKeyYGWCMOGTLKHQTB-NSFTWKFUSA-N
MW341.32 g/mol
LogP4.38
Rot. Bonds4

About [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene

[(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene (PubChem CID 135246037) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene.

Molecular Properties

Compound Name[(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene
PubChem CID135246037
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC Name[(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene
SMILESC/N=N/C(=C(\C)c1ccccn1)c1nc(-c2cc(F)ccc2F)no1
InChIInChI=1S/C17H13F2N5O/c1-10(14-5-3-4-8-21-14)15(23-20-2)17-22-16(24-25-17)12-9-11(18)6-7-13(12)19/h3-9H,1-2H3/b15-10+,23-20+
InChIKeyYGWCMOGTLKHQTB-NSFTWKFUSA-N
XLogP4.38
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene?
The IUPAC name of [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene (CID 135246037) is [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene.
What is the SMILES notation for [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene?
The canonical SMILES for [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene is C/N=N/C(=C(\C)c1ccccn1)c1nc(-c2cc(F)ccc2F)no1.
What is the InChIKey of [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene?
The InChIKey is YGWCMOGTLKHQTB-NSFTWKFUSA-N. The full InChI is InChI=1S/C17H13F2N5O/c1-10(14-5-3-4-8-21-14)15(23-20-2)17-22-16(24-25-17)12-9-11(18)6-7-13(12)19/h3-9H,1-2H3/b15-10+,23-20+.
What are the key properties of [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene?
[(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene has a molecular weight of 341.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene is sourced from PubChem (CID 135246037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).