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

C14H21N3O4 — CID 16554656

IUPACethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-6-17(8-11)9-13(18)15-12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,16,18)
InChIKeyFBMKGKGYXWAOON-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.20
Rot. Bonds5

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

ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 16554656) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID16554656
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-6-17(8-11)9-13(18)15-12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,16,18)
InChIKeyFBMKGKGYXWAOON-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 9346811
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
ethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxylate
CID 51223560
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
ethyl 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 16554662
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate (CID 16554656) is ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)Nc2cc(C)on2)C1.
What is the InChIKey of ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is FBMKGKGYXWAOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-6-17(8-11)9-13(18)15-12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,16,18).
What are the key properties of ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 16554656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).