ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate

C10H8INO3S — CID 79690999

IUPACethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1csc(I)c1
InChIInChI=1S/C10H8INO3S/c1-2-14-10(13)8-9(15-5-12-8)6-3-7(11)16-4-6/h3-5H,2H2,1H3
InChIKeyUYYOHSRIFQZIRI-UHFFFAOYSA-N
MW349.15 g/mol
LogP3.18
Rot. Bonds3

About ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate

ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 79690999) has the molecular formula C10H8INO3S and a molecular weight of 349.15 g/mol. Its IUPAC name is ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID79690999
Molecular FormulaC10H8INO3S
Molecular Weight349.15 g/mol
Exact Mass348.93
IUPAC Nameethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1csc(I)c1
InChIInChI=1S/C10H8INO3S/c1-2-14-10(13)8-9(15-5-12-8)6-3-7(11)16-4-6/h3-5H,2H2,1H3
InChIKeyUYYOHSRIFQZIRI-UHFFFAOYSA-N
XLogP3.18
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 53.18
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

ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618
ethyl 5-(4-chloro-2,5-difluorophenyl)-1,3-oxazole-4-carboxylate
CID 82771967
ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 81104544
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate (CID 79690999) is ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1csc(I)c1.
What is the InChIKey of ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is UYYOHSRIFQZIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO3S/c1-2-14-10(13)8-9(15-5-12-8)6-3-7(11)16-4-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 349.15 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 79690999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).