3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline

C14H10IN3O — CID 23008151

IUPAC3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cccc(-c2nc(-c3ccccc3I)no2)c1
InChIInChI=1S/C14H10IN3O/c15-12-7-2-1-6-11(12)13-17-14(19-18-13)9-4-3-5-10(16)8-9/h1-8H,16H2
InChIKeyUZJMIGUKSXYTRF-UHFFFAOYSA-N
MW363.16 g/mol
LogP3.59
Rot. Bonds2

About 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline

3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 23008151) has the molecular formula C14H10IN3O and a molecular weight of 363.16 g/mol. Its IUPAC name is 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID23008151
Molecular FormulaC14H10IN3O
Molecular Weight363.16 g/mol
Exact Mass362.99
IUPAC Name3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cccc(-c2nc(-c3ccccc3I)no2)c1
InChIInChI=1S/C14H10IN3O/c15-12-7-2-1-6-11(12)13-17-14(19-18-13)9-4-3-5-10(16)8-9/h1-8H,16H2
InChIKeyUZJMIGUKSXYTRF-UHFFFAOYSA-N
XLogP3.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057805
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)aniline
CID 43627796
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
3-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63743862
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
2-[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 177381757
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 23008151) is 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1cccc(-c2nc(-c3ccccc3I)no2)c1.
What is the InChIKey of 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is UZJMIGUKSXYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O/c15-12-7-2-1-6-11(12)13-17-14(19-18-13)9-4-3-5-10(16)8-9/h1-8H,16H2.
What are the key properties of 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline?
3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 363.16 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 23008151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).