2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol

C15H10FIN2O2 — CID 136886075

IUPAC2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
SMILESCc1cc(F)ccc1-c1noc(-c2cc(I)ccc2O)n1
InChIInChI=1S/C15H10FIN2O2/c1-8-6-9(16)2-4-11(8)14-18-15(21-19-14)12-7-10(17)3-5-13(12)20/h2-7,20H,1H3
InChIKeyKDXLMEVPDXXTMV-UHFFFAOYSA-N
MW396.16 g/mol
LogP4.16
Rot. Bonds2

About 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol

2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol (PubChem CID 136886075) has the molecular formula C15H10FIN2O2 and a molecular weight of 396.16 g/mol. Its IUPAC name is 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol.

Molecular Properties

Compound Name2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
PubChem CID136886075
Molecular FormulaC15H10FIN2O2
Molecular Weight396.16 g/mol
Exact Mass395.98
IUPAC Name2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
SMILESCc1cc(F)ccc1-c1noc(-c2cc(I)ccc2O)n1
InChIInChI=1S/C15H10FIN2O2/c1-8-6-9(16)2-4-11(8)14-18-15(21-19-14)12-7-10(17)3-5-13(12)20/h2-7,20H,1H3
InChIKeyKDXLMEVPDXXTMV-UHFFFAOYSA-N
XLogP4.16
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136885967
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 81261221
3-fluoro-4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795545
4-iodo-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886084
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886124
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 81273589
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol (CID 136886075) is 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol.
What is the SMILES notation for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The canonical SMILES for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol is Cc1cc(F)ccc1-c1noc(-c2cc(I)ccc2O)n1.
What is the InChIKey of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The InChIKey is KDXLMEVPDXXTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2O2/c1-8-6-9(16)2-4-11(8)14-18-15(21-19-14)12-7-10(17)3-5-13(12)20/h2-7,20H,1H3.
What are the key properties of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol has a molecular weight of 396.16 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol is sourced from PubChem (CID 136886075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).