5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C30H18F4N14O2 — CID 158239870

IUPAC5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCn1nnnc1-c1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1.Cn1nnnc1-c1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1
InChIInChI=1S/2C15H9F2N7O/c2*1-24-14(20-22-23-24)8-4-9(6-11(17)5-8)15-19-13(21-25-15)12-3-2-10(16)7-18-12/h2*2-7H,1H3
InChIKeyGFKITAVDZVYYLW-UHFFFAOYSA-N
MW682.56 g/mol
LogP4.53
Rot. Bonds6

About 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 158239870) has the molecular formula C30H18F4N14O2 and a molecular weight of 682.56 g/mol. Its IUPAC name is 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID158239870
Molecular FormulaC30H18F4N14O2
Molecular Weight682.56 g/mol
Exact Mass682.17
IUPAC Name5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCn1nnnc1-c1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1.Cn1nnnc1-c1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1
InChIInChI=1S/2C15H9F2N7O/c2*1-24-14(20-22-23-24)8-4-9(6-11(17)5-8)15-19-13(21-25-15)12-3-2-10(16)7-18-12/h2*2-7H,1H3
InChIKeyGFKITAVDZVYYLW-UHFFFAOYSA-N
XLogP4.53
TPSA190.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-YL]-N-[(pyridin-2-YL)methyl]benzamide
CID 50828885
3-(1-Methyl-1H-pyrrol-2-YL)-5-(1-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidin-3-YL)-1,2,4-oxadiazole
CID 124076589
1-{3-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-YL]benzoyl}-4-(pyridin-2-YL)piperazine
CID 50828661
1-{3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-YL]benzoyl}-4-(pyridin-2-YL)piperazine
CID 50828833
3-(2-Pyridyl)-5-[2-fluoro-5-(2-pyridyl)phenyl]-1,2,4-oxadiazole
CID 9922992
3-(2-Pyridyl)-5-(3-fluoro-5-(4-pyridyl)phenyl)-1,2,4-oxadiazole
CID 9966748
3-(5-Fluoro-2-pyridyl)-5-(3-(1-benzyl-1,2,5,6-tetrahydropyridin-3-yl)-5-fluorophenyl)-1,2,4-oxadiazole
CID 10113508
3-(5-Fluoro-2-pyridyl)-5-(3-fluoro-5-(3-pyridyl)phenyl)-1,2,4-oxadiazole
CID 10131828
3-(2-Pyridyl)-5-[2-fluoro-5-(3-pyridyl)phenyl]-1,2,4-oxadiazole
CID 10267893
3-(2-Pyridyl)-5-(3-fluoro-5-(3-pyridyl)phenyl)-1,2,4-oxadiazole
CID 10267894
3-(5-Fluoro-pyrid-2-yl)-5-[3-(3-pyridyl)phenyl]-1,2,4-oxadiazole
CID 21942408
3-(2-Pyridyl)-5-[2-fluoro-5-(4-pyridyl)phenyl]-1,2,4-oxadiazole
CID 21942441

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 158239870) is 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is Cn1nnnc1-c1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1.Cn1nnnc1-c1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1.
What is the InChIKey of 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GFKITAVDZVYYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H9F2N7O/c2*1-24-14(20-22-23-24)8-4-9(6-11(17)5-8)15-19-13(21-25-15)12-3-2-10(16)7-18-12/h2*2-7H,1H3.
What are the key properties of 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 682.56 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158239870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).