ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate

C13H14N2O4S — CID 51496478

IUPACethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)no1
InChIInChI=1S/C13H14N2O4S/c1-3-18-13(17)8(2)14-12(16)10-7-9(15-19-10)11-5-4-6-20-11/h4-8H,3H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyDOMSESFXVNXMRO-MRVPVSSYSA-N
MW294.33 g/mol
LogP2.08
Rot. Bonds5

About ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate

ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate (PubChem CID 51496478) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate
PubChem CID51496478
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Nameethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)no1
InChIInChI=1S/C13H14N2O4S/c1-3-18-13(17)8(2)14-12(16)10-7-9(15-19-10)11-5-4-6-20-11/h4-8H,3H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyDOMSESFXVNXMRO-MRVPVSSYSA-N
XLogP2.08
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-thiophen-2-yl-1,2-oxazole-5-carboxamide
CID 776505
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-2-carbonylamino)propanoate
CID 55484421
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
CID 61342753
ethyl 2-[[2-[2-(thiophene-2-carbonylamino)propanoyloxy]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 55484502
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate
CID 101345384
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52508994
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate?
The IUPAC name of ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate (CID 51496478) is ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)no1.
What is the InChIKey of ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate?
The InChIKey is DOMSESFXVNXMRO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-3-18-13(17)8(2)14-12(16)10-7-9(15-19-10)11-5-4-6-20-11/h4-8H,3H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate?
ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate has a molecular weight of 294.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 51496478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).