ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate

C16H23N3O5S — CID 52539403

IUPACethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C16H23N3O5S/c1-3-23-16(22)12-6-4-5-7-19(12)15(21)10-25-9-14(20)17-13-8-11(2)24-18-13/h8,12H,3-7,9-10H2,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeyJAVRJVXQDNCEPS-GFCCVEGCSA-N
MW369.44 g/mol
LogP1.60
Rot. Bonds7

About ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate

ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate (PubChem CID 52539403) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate
PubChem CID52539403
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Nameethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C16H23N3O5S/c1-3-23-16(22)12-6-4-5-7-19(12)15(21)10-25-9-14(20)17-13-8-11(2)24-18-13/h8,12H,3-7,9-10H2,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeyJAVRJVXQDNCEPS-GFCCVEGCSA-N
XLogP1.60
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119381694
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate
CID 115280103
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47125609
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(4-methylphenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110304947
N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide
CID 49407718
ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate
CID 134999355
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915718
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8531837
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466651

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate (CID 52539403) is ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1C(=O)CSCC(=O)Nc1cc(C)on1.
What is the InChIKey of ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate?
The InChIKey is JAVRJVXQDNCEPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-3-23-16(22)12-6-4-5-7-19(12)15(21)10-25-9-14(20)17-13-8-11(2)24-18-13/h8,12H,3-7,9-10H2,1-2H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate?
ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 52539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).