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

C14H21N3O4 — CID 78915718

IUPACethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(=O)Nc1cc(C)no1
InChIInChI=1S/C14H21N3O4/c1-3-20-14(19)11-6-4-5-7-17(11)9-12(18)15-13-8-10(2)16-21-13/h8,11H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyJLAYPNJMXWIYPO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.34
Rot. Bonds5

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

ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 78915718) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
PubChem CID78915718
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(=O)Nc1cc(C)no1
InChIInChI=1S/C14H21N3O4/c1-3-20-14(19)11-6-4-5-7-17(11)9-12(18)15-13-8-10(2)16-21-13/h8,11H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyJLAYPNJMXWIYPO-UHFFFAOYSA-N
XLogP1.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915205
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 114430623
ethyl (2S)-1-[2-[[(S)-cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-2-carboxylate
CID 100899662
ethyl (2R)-1-[2-[[(S)-cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-2-carboxylate
CID 100899663
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
N-(3-methyl-1,2-oxazol-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 51088987
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51339916
2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 124730258

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate (CID 78915718) is ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CC(=O)Nc1cc(C)no1.
What is the InChIKey of ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is JLAYPNJMXWIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-20-14(19)11-6-4-5-7-17(11)9-12(18)15-13-8-10(2)16-21-13/h8,11H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 78915718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).