1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid

C11H11NO3S — CID 82621200

IUPAC1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3ncoc3s2)CCCC1
InChIInChI=1S/C11H11NO3S/c13-10(14)11(3-1-2-4-11)8-5-7-9(16-8)15-6-12-7/h5-6H,1-4H2,(H,13,14)
InChIKeyOYVOMDFNISSVFK-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.79
Rot. Bonds2

About 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid

1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid (PubChem CID 82621200) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid
PubChem CID82621200
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3ncoc3s2)CCCC1
InChIInChI=1S/C11H11NO3S/c13-10(14)11(3-1-2-4-11)8-5-7-9(16-8)15-6-12-7/h5-6H,1-4H2,(H,13,14)
InChIKeyOYVOMDFNISSVFK-UHFFFAOYSA-N
XLogP2.79
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid
CID 177324098
1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
CID 84813843
1-(1,3-benzoxazol-5-yl)cyclopropane-1-carboxylic acid
CID 59129317
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96794208
1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
CID 123465513
1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 84806704
1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 82611608
1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 83703234
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclobutane-1-carboxylic acid
CID 96602541
1-(1,2,3-benzothiadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 117373674
1-(1,3-benzothiazol-7-yl)cyclohexane-1-carboxylic acid
CID 117407875

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid (CID 82621200) is 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid is O=C(O)C1(c2cc3ncoc3s2)CCCC1.
What is the InChIKey of 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid?
The InChIKey is OYVOMDFNISSVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-10(14)11(3-1-2-4-11)8-5-7-9(16-8)15-6-12-7/h5-6H,1-4H2,(H,13,14).
What are the key properties of 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid?
1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82621200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).