1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid

C12H11NO3S — CID 102543851

IUPAC1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(-c3cccs3)on2)CCC1
InChIInChI=1S/C12H11NO3S/c14-11(15)12(4-2-5-12)10-7-8(16-13-10)9-3-1-6-17-9/h1,3,6-7H,2,4-5H2,(H,14,15)
InChIKeyALVHDMATXKOSPD-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.91
Rot. Bonds3

About 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid

1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 102543851) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
PubChem CID102543851
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(-c3cccs3)on2)CCC1
InChIInChI=1S/C12H11NO3S/c14-11(15)12(4-2-5-12)10-7-8(16-13-10)9-3-1-6-17-9/h1,3,6-7H,2,4-5H2,(H,14,15)
InChIKeyALVHDMATXKOSPD-UHFFFAOYSA-N
XLogP2.91
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891023
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
N-benzhydryl-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502552
1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
CID 102543853
[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanol
CID 102543890
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157567
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502699
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502473
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502740
3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502513

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid (CID 102543851) is 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc(-c3cccs3)on2)CCC1.
What is the InChIKey of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is ALVHDMATXKOSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-11(15)12(4-2-5-12)10-7-8(16-13-10)9-3-1-6-17-9/h1,3,6-7H,2,4-5H2,(H,14,15).
What are the key properties of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid?
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 102543851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).