ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate

C12H18N2O5 — CID 90291472

IUPACethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCOC[C@@H]2COC)n1
InChIInChI=1S/C12H18N2O5/c1-3-18-11(15)10-8-19-12(13-10)14-4-5-17-7-9(14)6-16-2/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyFMOUXTZXQRLIJI-VIFPVBQESA-N
MW270.28 g/mol
LogP0.70
Rot. Bonds5

About ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 90291472) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID90291472
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nameethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCOC[C@@H]2COC)n1
InChIInChI=1S/C12H18N2O5/c1-3-18-11(15)10-8-19-12(13-10)14-4-5-17-7-9(14)6-16-2/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyFMOUXTZXQRLIJI-VIFPVBQESA-N
XLogP0.70
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate
CID 113377140
ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70704972
ethyl 2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 107393013
ethyl 2-[3-(methylcarbamoyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 104530088
(3R)-3-(methoxymethyl)-4-phenylmorpholine
CID 173472557
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
methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
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
methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
CID 76561309
ethyl 2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70707727

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate (CID 90291472) is ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCOC[C@@H]2COC)n1.
What is the InChIKey of ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is FMOUXTZXQRLIJI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O5/c1-3-18-11(15)10-8-19-12(13-10)14-4-5-17-7-9(14)6-16-2/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90291472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).