ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate

C11H15N3O4 — CID 113377250

IUPACethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC2CCCNC2=O)n1
InChIInChI=1S/C11H15N3O4/c1-2-17-10(16)8-6-18-11(14-8)13-7-4-3-5-12-9(7)15/h6-7H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyTYQGVTWNWUBZOR-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.54
Rot. Bonds4

About ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate

ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate (PubChem CID 113377250) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
PubChem CID113377250
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC2CCCNC2=O)n1
InChIInChI=1S/C11H15N3O4/c1-2-17-10(16)8-6-18-11(14-8)13-7-4-3-5-12-9(7)15/h6-7H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyTYQGVTWNWUBZOR-UHFFFAOYSA-N
XLogP0.54
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572
ethyl 2-[(2,3-dimethylcyclopentyl)amino]-1,3-oxazole-4-carboxylate
CID 113377315
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-[3-(cyclopropylamino)propylamino]-1,3-oxazole-4-carboxylate
CID 113377151
ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate
CID 62092277
ethyl 5-amino-3-chloro-2-[(2-oxopiperidin-3-yl)amino]benzoate
CID 107195593
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377129
ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
CID 113377055
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate (CID 113377250) is ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NC2CCCNC2=O)n1.
What is the InChIKey of ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
The InChIKey is TYQGVTWNWUBZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-17-10(16)8-6-18-11(14-8)13-7-4-3-5-12-9(7)15/h6-7H,2-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).