methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate

C14H16N2O3S — CID 56791543

IUPACmethyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C14H16N2O3S/c1-18-14(17)10-4-2-6-16(10)9-13-15-8-11(19-13)12-5-3-7-20-12/h3,5,7-8,10H,2,4,6,9H2,1H3/t10-/m0/s1
InChIKeyOWNGXAIEWZVJSW-JTQLQIEISA-N
MW292.36 g/mol
LogP2.54
Rot. Bonds4

About methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 56791543) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID56791543
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C14H16N2O3S/c1-18-14(17)10-4-2-6-16(10)9-13-15-8-11(19-13)12-5-3-7-20-12/h3,5,7-8,10H,2,4,6,9H2,1H3/t10-/m0/s1
InChIKeyOWNGXAIEWZVJSW-JTQLQIEISA-N
XLogP2.54
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate (CID 56791543) is methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1Cc1ncc(-c2cccs2)o1.
What is the InChIKey of methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is OWNGXAIEWZVJSW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-14(17)10-4-2-6-16(10)9-13-15-8-11(19-13)12-5-3-7-20-12/h3,5,7-8,10H,2,4,6,9H2,1H3/t10-/m0/s1.
What are the key properties of methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 56791543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).