5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

C11H12N2O3S — CID 103257810

IUPAC5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@H](NCc1cc(C(=O)O)no1)c1cccs1
InChIInChI=1S/C11H12N2O3S/c1-7(10-3-2-4-17-10)12-6-8-5-9(11(14)15)13-16-8/h2-5,7,12H,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyALCMFFJWQYOOGE-ZETCQYMHSA-N
MW252.29 g/mol
LogP2.29
Rot. Bonds5

About 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103257810) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103257810
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@H](NCc1cc(C(=O)O)no1)c1cccs1
InChIInChI=1S/C11H12N2O3S/c1-7(10-3-2-4-17-10)12-6-8-5-9(11(14)15)13-16-8/h2-5,7,12H,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyALCMFFJWQYOOGE-ZETCQYMHSA-N
XLogP2.29
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 115723278
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103258761
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 81398371
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 103605426
5-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242811
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
CID 43222470
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 62084292
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397494

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103257810) is 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is C[C@H](NCc1cc(C(=O)O)no1)c1cccs1.
What is the InChIKey of 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is ALCMFFJWQYOOGE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7(10-3-2-4-17-10)12-6-8-5-9(11(14)15)13-16-8/h2-5,7,12H,6H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103257810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).