3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole

C12H8FIN4O — CID 19324649

IUPAC3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(I)c(-c2nc(-c3ccc(F)cc3)no2)n1
InChIInChI=1S/C12H8FIN4O/c1-18-6-9(14)10(16-18)12-15-11(17-19-12)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyGQDSTFXYIGLYCO-UHFFFAOYSA-N
MW370.13 g/mol
LogP2.88
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 19324649) has the molecular formula C12H8FIN4O and a molecular weight of 370.13 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID19324649
Molecular FormulaC12H8FIN4O
Molecular Weight370.13 g/mol
Exact Mass369.97
IUPAC Name3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(I)c(-c2nc(-c3ccc(F)cc3)no2)n1
InChIInChI=1S/C12H8FIN4O/c1-18-6-9(14)10(16-18)12-15-11(17-19-12)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyGQDSTFXYIGLYCO-UHFFFAOYSA-N
XLogP2.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.13
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-5-(5-methyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 19326362
3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 19324652
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6458361
5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326289
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
3-(4-fluorophenyl)-5-[2-(4-iodo-5-methylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 19326319
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239
3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
CID 19326193
(4-chlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018544
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 19324649) is 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole is Cn1cc(I)c(-c2nc(-c3ccc(F)cc3)no2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is GQDSTFXYIGLYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN4O/c1-18-6-9(14)10(16-18)12-15-11(17-19-12)7-2-4-8(13)5-3-7/h2-6H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 370.13 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19324649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).