ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate

C12H18N2O4 — CID 113377140

IUPACethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCOCC2CC)n1
InChIInChI=1S/C12H18N2O4/c1-3-9-7-16-6-5-14(9)12-13-10(8-18-12)11(15)17-4-2/h8-9H,3-7H2,1-2H3
InChIKeyFCFDZCAHFDXBIO-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.47
Rot. Bonds4

About ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate

ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate (PubChem CID 113377140) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate
PubChem CID113377140
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCOCC2CC)n1
InChIInChI=1S/C12H18N2O4/c1-3-9-7-16-6-5-14(9)12-13-10(8-18-12)11(15)17-4-2/h8-9H,3-7H2,1-2H3
InChIKeyFCFDZCAHFDXBIO-UHFFFAOYSA-N
XLogP1.47
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
CID 90291472
methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70704972
methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
CID 76561309
ethyl 2-[3-(methylcarbamoyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 104530088
ethyl 2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 107393013
ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate
CID 113376944
ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
CID 95560858
6-chloro-2-[(3S)-3-ethylmorpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid
CID 66874118
methyl 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carboxylate
CID 114047041
ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate
CID 103496481
ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
CID 116698306

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate (CID 113377140) is ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCOCC2CC)n1.
What is the InChIKey of ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is FCFDZCAHFDXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-9-7-16-6-5-14(9)12-13-10(8-18-12)11(15)17-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).