2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid

C11H9NO3S — CID 62235343

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cc3c(s2)CCC3)n1
InChIInChI=1S/C11H9NO3S/c13-11(14)7-5-15-10(12-7)9-4-6-2-1-3-8(6)16-9/h4-5H,1-3H2,(H,13,14)
InChIKeyGIALONKULAEBFM-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.59
Rot. Bonds2

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62235343) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID62235343
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cc3c(s2)CCC3)n1
InChIInChI=1S/C11H9NO3S/c13-11(14)7-5-15-10(12-7)9-4-6-2-1-3-8(6)16-9/h4-5H,1-3H2,(H,13,14)
InChIKeyGIALONKULAEBFM-UHFFFAOYSA-N
XLogP2.59
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 65288902
4-ethyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 104842572
dimethyl 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953631
4-(methoxymethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114373926
ethyl 5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 55182732
2-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113431638
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855729
[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660476
3-amino-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
CID 83034923
2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325270
[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326220

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid (CID 62235343) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2cc3c(s2)CCC3)n1.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is GIALONKULAEBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-11(14)7-5-15-10(12-7)9-4-6-2-1-3-8(6)16-9/h4-5H,1-3H2,(H,13,14).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62235343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).