(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C13H12N2O4S — CID 124703106

IUPAC(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C13H12N2O4S/c16-12(15-5-1-3-8(15)13(17)18)10-11(19-7-14-10)9-4-2-6-20-9/h2,4,6-8H,1,3,5H2,(H,17,18)/t8-/m0/s1
InChIKeyXEWXRNGIVYUOLN-QMMMGPOBSA-N
MW292.32 g/mol
LogP2.09
Rot. Bonds3

About (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 124703106) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID124703106
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C13H12N2O4S/c16-12(15-5-1-3-8(15)13(17)18)10-11(19-7-14-10)9-4-2-6-20-9/h2,4,6-8H,1,3,5H2,(H,17,18)/t8-/m0/s1
InChIKeyXEWXRNGIVYUOLN-QMMMGPOBSA-N
XLogP2.09
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95315636
(2S)-1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148770
[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95616069
[(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95616068
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356502
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119364932
1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122036431
1-[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356924
(2R)-1-(3-aminopyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371307
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 124703106) is (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ncoc1-c1cccs1.
What is the InChIKey of (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XEWXRNGIVYUOLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-12(15-5-1-3-8(15)13(17)18)10-11(19-7-14-10)9-4-2-6-20-9/h2,4,6-8H,1,3,5H2,(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124703106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).