[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C13H17N3O5 — CID 8646179

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)on1
InChIInChI=1S/C13H17N3O5/c1-8-6-10(21-15-8)13(19)20-7-11(17)16-5-3-2-4-9(16)12(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)/t9-/m1/s1
InChIKeyGNZXZOGHSPOPNX-SECBINFHSA-N
MW295.30 g/mol
LogP0.01
Rot. Bonds4

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 8646179) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID8646179
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)on1
InChIInChI=1S/C13H17N3O5/c1-8-6-10(21-15-8)13(19)20-7-11(17)16-5-3-2-4-9(16)12(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)/t9-/m1/s1
InChIKeyGNZXZOGHSPOPNX-SECBINFHSA-N
XLogP0.01
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-[(3-methylisoxazol-5-yl)carbonyl]piperazinecarboxylate
CID 5307813
3-methyl-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 17095595
2-[(3-Methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone
CID 99839893
N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
CID 164634692
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone
CID 164634821
Ethyl 5-[[(4-fluoropiperidin-4-yl)-methylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
CID 66660922
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 137845818
(3-Methyl-1,2-oxazol-5-yl)methyl 1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 71896871
Ethyl 2-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylate
CID 132467957
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate
CID 66660766
5-(methoxymethyl)-N-(2-methoxypropyl)-1,2-oxazole-3-carboxamide
CID 132028102
N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 135132598

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 8646179) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)on1.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is GNZXZOGHSPOPNX-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-6-10(21-15-8)13(19)20-7-11(17)16-5-3-2-4-9(16)12(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)/t9-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 8646179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).