2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid

C10H10N2O4S — CID 106435570

IUPAC2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C10H10N2O4S/c13-8(6-1-2-17-5-6)3-11-10-12-7(4-16-10)9(14)15/h1-2,4-5,8,13H,3H2,(H,11,12)(H,14,15)
InChIKeyWVGXKXDGWXHOIP-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.58
Rot. Bonds5

About 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 106435570) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
PubChem CID106435570
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C10H10N2O4S/c13-8(6-1-2-17-5-6)3-11-10-12-7(4-16-10)9(14)15/h1-2,4-5,8,13H,3H2,(H,11,12)(H,14,15)
InChIKeyWVGXKXDGWXHOIP-UHFFFAOYSA-N
XLogP1.58
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 103686497
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
CID 106435593
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106434509
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid
CID 113377235
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid (CID 106435570) is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is WVGXKXDGWXHOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c13-8(6-1-2-17-5-6)3-11-10-12-7(4-16-10)9(14)15/h1-2,4-5,8,13H,3H2,(H,11,12)(H,14,15).
What are the key properties of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid?
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 254.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 106435570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).