2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C17H11IN2O3S — CID 19542166

IUPAC2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESIc1ccc(OCc2ccc(-c3nnc(-c4cccs4)o3)o2)cc1
InChIInChI=1S/C17H11IN2O3S/c18-11-3-5-12(6-4-11)21-10-13-7-8-14(22-13)16-19-20-17(23-16)15-2-1-9-24-15/h1-9H,10H2
InChIKeyHSXCRIMFEWKURY-UHFFFAOYSA-N
MW450.26 g/mol
LogP5.24
Rot. Bonds5

About 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 19542166) has the molecular formula C17H11IN2O3S and a molecular weight of 450.26 g/mol. Its IUPAC name is 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID19542166
Molecular FormulaC17H11IN2O3S
Molecular Weight450.26 g/mol
Exact Mass449.95
IUPAC Name2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESIc1ccc(OCc2ccc(-c3nnc(-c4cccs4)o3)o2)cc1
InChIInChI=1S/C17H11IN2O3S/c18-11-3-5-12(6-4-11)21-10-13-7-8-14(22-13)16-19-20-17(23-16)15-2-1-9-24-15/h1-9H,10H2
InChIKeyHSXCRIMFEWKURY-UHFFFAOYSA-N
XLogP5.24
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.26
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-5-[5-[(4-iodophenoxy)methyl]furan-2-yl]-1,3,4-oxadiazole
CID 19542155
5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332854
2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542159
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 2450757
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332929
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542453

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 19542166) is 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is Ic1ccc(OCc2ccc(-c3nnc(-c4cccs4)o3)o2)cc1.
What is the InChIKey of 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is HSXCRIMFEWKURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11IN2O3S/c18-11-3-5-12(6-4-11)21-10-13-7-8-14(22-13)16-19-20-17(23-16)15-2-1-9-24-15/h1-9H,10H2.
What are the key properties of 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 450.26 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19542166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).