2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid

C10H9ClN2O3S — CID 106035152

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H9ClN2O3S/c11-8-2-1-6(17-8)3-4-12-10-13-7(5-16-10)9(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKeyTVFSLCHOVCVDTF-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid

2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 106035152) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID106035152
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H9ClN2O3S/c11-8-2-1-6(17-8)3-4-12-10-13-7(5-16-10)9(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKeyTVFSLCHOVCVDTF-UHFFFAOYSA-N
XLogP2.74
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
2-[2-(5-chlorothiophen-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 106042979
2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 166178227
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106036943
4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214874
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
methyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 114140236
3-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 106044682
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 106041563
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
4-[2-(5-chlorothiophen-2-yl)ethylamino]-3-fluorobenzoic acid
CID 106042994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid (CID 106035152) is 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NCCc2ccc(Cl)s2)n1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is TVFSLCHOVCVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c11-8-2-1-6(17-8)3-4-12-10-13-7(5-16-10)9(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid?
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 272.71 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 106035152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).