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

C9H9IN2OS — CID 79694069

IUPAC4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2csc(I)c2)noc1N
InChIInChI=1S/C9H9IN2OS/c1-2-6-8(12-13-9(6)11)5-3-7(10)14-4-5/h3-4H,2,11H2,1H3
InChIKeyFSXPLOZNOXXNFZ-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.15
Rot. Bonds2

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

4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine (PubChem CID 79694069) has the molecular formula C9H9IN2OS and a molecular weight of 320.16 g/mol. Its IUPAC name is 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
PubChem CID79694069
Molecular FormulaC9H9IN2OS
Molecular Weight320.16 g/mol
Exact Mass319.95
IUPAC Name4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2csc(I)c2)noc1N
InChIInChI=1S/C9H9IN2OS/c1-2-6-8(12-13-9(6)11)5-3-7(10)14-4-5/h3-4H,2,11H2,1H3
InChIKeyFSXPLOZNOXXNFZ-UHFFFAOYSA-N
XLogP3.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine (CID 79694069) is 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine is CCc1c(-c2csc(I)c2)noc1N.
What is the InChIKey of 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
The InChIKey is FSXPLOZNOXXNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2OS/c1-2-6-8(12-13-9(6)11)5-3-7(10)14-4-5/h3-4H,2,11H2,1H3.
What are the key properties of 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine?
4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine has a molecular weight of 320.16 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79694069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).