2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid

C11H8ClNO3S — CID 114374437

IUPAC2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2sccc2Cl)nc1C1CC1
InChIInChI=1S/C11H8ClNO3S/c12-6-3-4-17-9(6)10-13-7(5-1-2-5)8(16-10)11(14)15/h3-5H,1-2H2,(H,14,15)
InChIKeyYXYKRUIMUWEJOF-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.63
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid

2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114374437) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
PubChem CID114374437
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2sccc2Cl)nc1C1CC1
InChIInChI=1S/C11H8ClNO3S/c12-6-3-4-17-9(6)10-13-7(5-1-2-5)8(16-10)11(14)15/h3-5H,1-2H2,(H,14,15)
InChIKeyYXYKRUIMUWEJOF-UHFFFAOYSA-N
XLogP3.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953780
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114026696
ethyl 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 80644367
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 80641650
ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
CID 114372123

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (CID 114374437) is 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2sccc2Cl)nc1C1CC1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YXYKRUIMUWEJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c12-6-3-4-17-9(6)10-13-7(5-1-2-5)8(16-10)11(14)15/h3-5H,1-2H2,(H,14,15).
What are the key properties of 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 269.71 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).