3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole

C8H7IN2OS — CID 130735503

IUPAC3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2csc(I)c2)n1
InChIInChI=1S/C8H7IN2OS/c1-2-7-10-8(12-11-7)5-3-6(9)13-4-5/h3-4H,2H2,1H3
InChIKeyIXQVFYVXSGGOIR-UHFFFAOYSA-N
MW306.13 g/mol
LogP2.97
Rot. Bonds2

About 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole

3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole (PubChem CID 130735503) has the molecular formula C8H7IN2OS and a molecular weight of 306.13 g/mol. Its IUPAC name is 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole
PubChem CID130735503
Molecular FormulaC8H7IN2OS
Molecular Weight306.13 g/mol
Exact Mass305.93
IUPAC Name3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2csc(I)c2)n1
InChIInChI=1S/C8H7IN2OS/c1-2-7-10-8(12-11-7)5-3-6(9)13-4-5/h3-4H,2H2,1H3
InChIKeyIXQVFYVXSGGOIR-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole
CID 130891325
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79683529
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79683684
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79684730
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636361
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855437
4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
CID 79694069
4-ethyl-5-(5-iodothiophen-3-yl)-1,2-oxazol-3-amine
CID 79691236
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole (CID 130735503) is 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole is CCc1noc(-c2csc(I)c2)n1.
What is the InChIKey of 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole?
The InChIKey is IXQVFYVXSGGOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2OS/c1-2-7-10-8(12-11-7)5-3-6(9)13-4-5/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole?
3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole has a molecular weight of 306.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130735503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).