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

C9H4ClNO5S — CID 102953780

IUPAC2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2sccc2Cl)oc1C(=O)O
InChIInChI=1S/C9H4ClNO5S/c10-3-1-2-17-6(3)7-11-4(8(12)13)5(16-7)9(14)15/h1-2H,(H,12,13)(H,14,15)
InChIKeyLNMWHWTWMQRVPC-UHFFFAOYSA-N
MW273.65 g/mol
LogP2.45
Rot. Bonds3

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

2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 102953780) has the molecular formula C9H4ClNO5S and a molecular weight of 273.65 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid
PubChem CID102953780
Molecular FormulaC9H4ClNO5S
Molecular Weight273.65 g/mol
Exact Mass272.95
IUPAC Name2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2sccc2Cl)oc1C(=O)O
InChIInChI=1S/C9H4ClNO5S/c10-3-1-2-17-6(3)7-11-4(8(12)13)5(16-7)9(14)15/h1-2H,(H,12,13)(H,14,15)
InChIKeyLNMWHWTWMQRVPC-UHFFFAOYSA-N
XLogP2.45
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437
5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 80644367
ethyl 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084
2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953761
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 80641650
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953817
2-(3,5-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953844
5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 29271509
4-tert-butyl-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114372915
4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114373983
methyl 2-[2-(3-chlorothiophen-2-yl)-1,3-benzoxazol-4-yl]acetate
CID 139676391
5-(4-bromo-3-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81290019

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid (CID 102953780) is 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid is O=C(O)c1nc(-c2sccc2Cl)oc1C(=O)O.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is LNMWHWTWMQRVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClNO5S/c10-3-1-2-17-6(3)7-11-4(8(12)13)5(16-7)9(14)15/h1-2H,(H,12,13)(H,14,15).
What are the key properties of 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid?
2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 273.65 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 102953780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).