5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C16H13IN2O3 — CID 9353996

IUPAC5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2cccc(I)c2)n1
InChIInChI=1S/C16H13IN2O3/c1-20-14-8-3-2-7-13(14)16-18-15(22-19-16)10-21-12-6-4-5-11(17)9-12/h2-9H,10H2,1H3
InChIKeyIVZDVWHYAHFCFY-UHFFFAOYSA-N
MW408.20 g/mol
LogP3.93
Rot. Bonds5

About 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9353996) has the molecular formula C16H13IN2O3 and a molecular weight of 408.20 g/mol. Its IUPAC name is 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID9353996
Molecular FormulaC16H13IN2O3
Molecular Weight408.20 g/mol
Exact Mass408.00
IUPAC Name5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2cccc(I)c2)n1
InChIInChI=1S/C16H13IN2O3/c1-20-14-8-3-2-7-13(14)16-18-15(22-19-16)10-21-12-6-4-5-11(17)9-12/h2-9H,10H2,1H3
InChIKeyIVZDVWHYAHFCFY-UHFFFAOYSA-N
XLogP3.93
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.20
LogP ≤ 53.93
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

5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9354144
5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355907
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
CID 22115631
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480
5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9354278
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029378
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
3-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382

Frequently Asked Questions

What is the IUPAC name of 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 9353996) is 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(COc2cccc(I)c2)n1.
What is the InChIKey of 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is IVZDVWHYAHFCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O3/c1-20-14-8-3-2-7-13(14)16-18-15(22-19-16)10-21-12-6-4-5-11(17)9-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 408.20 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9353996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).