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

C11H10ClNO3S — CID 165454708

IUPAC3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(-c2ccc(Cl)s2)c1C(=O)O
InChIInChI=1S/C11H10ClNO3S/c1-5(2)10-8(11(14)15)9(13-16-10)6-3-4-7(12)17-6/h3-5H,1-2H3,(H,14,15)
InChIKeyXAZOZKOYSKZFPR-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.88
Rot. Bonds3

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

3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 165454708) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID165454708
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(-c2ccc(Cl)s2)c1C(=O)O
InChIInChI=1S/C11H10ClNO3S/c1-5(2)10-8(11(14)15)9(13-16-10)6-3-4-7(12)17-6/h3-5H,1-2H3,(H,14,15)
InChIKeyXAZOZKOYSKZFPR-UHFFFAOYSA-N
XLogP3.88
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165449768
3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562
3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454713
3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454716
6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533409
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 118060324
5-(4-aminobutyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxamide
CID 90714129
3-amino-5-(5-chlorothiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83035169
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 82130600

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 165454708) is 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1onc(-c2ccc(Cl)s2)c1C(=O)O.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XAZOZKOYSKZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-5(2)10-8(11(14)15)9(13-16-10)6-3-4-7(12)17-6/h3-5H,1-2H3,(H,14,15).
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 271.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165454708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).