ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate

C13H18N2O4 — CID 79487941

IUPACethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ocnc1C
InChIInChI=1S/C13H18N2O4/c1-3-18-13(17)10-6-4-5-7-15(10)12(16)11-9(2)14-8-19-11/h8,10H,3-7H2,1-2H3
InChIKeyOLXYJVAPWPSHAI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.54
Rot. Bonds3

About ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate

ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate (PubChem CID 79487941) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
PubChem CID79487941
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ocnc1C
InChIInChI=1S/C13H18N2O4/c1-3-18-13(17)10-6-4-5-7-15(10)12(16)11-9(2)14-8-19-11/h8,10H,3-7H2,1-2H3
InChIKeyOLXYJVAPWPSHAI-UHFFFAOYSA-N
XLogP1.54
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
ethyl (2S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-2-carboxylate
CID 52812175
ethyl (2S)-1-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-2-carboxylate
CID 26326730
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate (CID 79487941) is ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1ocnc1C.
What is the InChIKey of ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is OLXYJVAPWPSHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-13(17)10-6-4-5-7-15(10)12(16)11-9(2)14-8-19-11/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79487941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).