N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C13H8IN3O2S — CID 129134908

IUPACN-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(I)s2)o1)c1ccccc1
InChIInChI=1S/C13H8IN3O2S/c14-10-7-6-9(20-10)12-16-17-13(19-12)15-11(18)8-4-2-1-3-5-8/h1-7H,(H,15,17,18)
InChIKeyZAXIISMDUWLQDL-UHFFFAOYSA-N
MW397.20 g/mol
LogP3.65
Rot. Bonds3

About N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 129134908) has the molecular formula C13H8IN3O2S and a molecular weight of 397.20 g/mol. Its IUPAC name is N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID129134908
Molecular FormulaC13H8IN3O2S
Molecular Weight397.20 g/mol
Exact Mass396.94
IUPAC NameN-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(I)s2)o1)c1ccccc1
InChIInChI=1S/C13H8IN3O2S/c14-10-7-6-9(20-10)12-16-17-13(19-12)15-11(18)8-4-2-1-3-5-8/h1-7H,(H,15,17,18)
InChIKeyZAXIISMDUWLQDL-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 129134908) is N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(I)s2)o1)c1ccccc1.
What is the InChIKey of N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZAXIISMDUWLQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3O2S/c14-10-7-6-9(20-10)12-16-17-13(19-12)15-11(18)8-4-2-1-3-5-8/h1-7H,(H,15,17,18).
What are the key properties of N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 397.20 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 129134908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).